ethyl 2-(4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

ethyl 2-(4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

Formula: C17H15NO5S

SMILES: CCOC(=O)COC1=CC=C(C=C2SC(=O)N(CC#C)C2=O)C=C1

IUPAC: ethyl 2-(4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

InChI: InChI=1S/C17H15NO5S/c1-3-9-18-16(20)14(24-17(18)21)10-12-5-7-13(8-6-12)23-11-15(19)22-4-2/h1,5-8,10H,4,9,11H2,2H3/b14-10+

Composition: C (59.12%), H (4.38%), N (4.06%), O (23.16%), S (9.28%)

Molar Mass: 345.37

Atom Count: 39

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	345.067093761
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ZNLSDZPQTPBRAF-GXDHUFHOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.76
Topological Polar Surface Area	72.91
Polarizability	34.4
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H15NO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00