[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C17H12ClNO3S3 MolecularWeight: 409.93008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl)SCC3=CSC=N3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl)SCC3=CSC=N3

InChI

InChI=1S/C17H12ClNO3S3/c18-16-6-5-15(25-16)13(20)7-22-17(21)12-3-1-2-4-14(12)24-9-11-8-23-10-19-11/h1-6,8,10H,7,9H2