methyl 4-[2-[2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-1,3-thiazol-4-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-[2-oxo-2-(2-thienyl)ethyl]sulfanylthiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[2-[(2-oxo-2-thiophen-2-ylethyl)thio]-4-thiazolyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[[2-keto-2-(2-thienyl)ethyl]thio]thiazol-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C19H16N2O4S3 MolecularWeight: 432.53634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)SCC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)SCC(=O)C3=CC=CS3

InChI

InChI=1S/C19H16N2O4S3/c1-25-18(24)12-4-6-13(7-5-12)20-17(23)9-14-10-27-19(21-14)28-11-15(22)16-3-2-8-26-16/h2-8,10H,9,11H2,1H3,(H,20,23)