3-{[3-(ethoxycarbonyl)-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}propanoic acid

3-{[3-(ethoxycarbonyl)-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}propanoic acid

Formula: C16H21NO5S

SMILES: CCOC(=O)C1=C(NC(=O)CCC(O)=O)SC2=C1C(C)CCC2

IUPAC: 3-{[3-(ethoxycarbonyl)-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}propanoic acid

InChI: InChI=1/C16H21NO5S/c1-3-22-16(21)14-13-9(2)5-4-6-10(13)23-15(14)17-11(18)7-8-12(19)20/h9H,3-8H2,1-2H3,(H,17,18)(H,19,20)

Composition: C (56.62%), H (6.24%), N (4.13%), O (23.57%), S (9.45%)

Molar Mass: 339.41

Atom Count: 44

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	339.114043954
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	FWWGCVKUHKDZAJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.82
Topological Polar Surface Area	92.7
Polarizability	32.79
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H21NO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00