ethyl 5-ethanoyl-4-methyl-2-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-(4-phenylthiazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[1-oxo-2-[(4-phenyl-2-thiazolyl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[2-[(4-phenylthiazol-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O4S3 MolecularWeight: 460.5895

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4S3/c1-4-27-20(26)17-12(2)18(13(3)24)30-19(17)23-16(25)11-29-21-22-15(10-28-21)14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,23,25)