(2-acetamido-1,3-thiazol-4-yl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid (2-acetamidothiazol-4-yl)methyl ester Formula: C14H13ClN2O4S2 MolecularWeight: 372.84702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C14H13ClN2O4S2/c1-8(18)16-14-17-9(7-22-14)6-21-13(20)5-2-10(19)11-3-4-12(15)23-11/h3-4,7H,2,5-6H2,1H3,(H,16,17,18)