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

Systemtic Name: ethyl 4-[2-[2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H18N2O4S3 MolecularWeight: 446.56292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4S3/c1-2-26-19(25)13-5-7-14(8-6-13)21-18(24)10-15-11-28-20(22-15)29-12-16(23)17-4-3-9-27-17/h3-9,11H,2,10,12H2,1H3,(H,21,24)