ethyl 2-{[(2-phenoxyacetamido)methanethioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-{[(2-phenoxyacetamido)methanethioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C20H22N2O4S2

SMILES: CCOC(=O)C1=C(NC(=S)NC(=O)COC2=CC=CC=C2)SC2=C1CCCC2

IUPAC: ethyl 2-{[(2-phenoxyacetamido)methanethioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C20H22N2O4S2/c1-2-25-19(24)17-14-10-6-7-11-15(14)28-18(17)22-20(27)21-16(23)12-26-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H2,21,22,23,27)

Composition: C (57.40%), H (5.30%), N (6.69%), O (15.29%), S (15.32%)

Molar Mass: 418.53

Atom Count: 50

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	418.102099544
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NNGGXRNOMUAYIQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	113.58
Topological Polar Surface Area	76.66
Polarizability	43.34
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H22N2O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00