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

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-(4-phenylthiazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[1-oxo-2-[(4-phenyl-2-thiazolyl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-(methylcarbamoyl)-2-[[2-[(4-phenylthiazol-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O4S3 MolecularWeight: 475.60414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S3/c1-4-28-20(27)16-12(2)17(18(26)22-3)31-19(16)24-15(25)11-30-21-23-14(10-29-21)13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3,(H,22,26)(H,24,25)