ethyl 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4,5-dihydrothiazol-2-ylsulfanyl)acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4,5-dihydrothiazol-2-ylthio)-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[2-(2-thiazolin-2-ylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NCCS3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NCCS3

InChI

InChI=1S/C18H18N2O3S3/c1-2-23-17(22)13-10-14(12-6-4-3-5-7-12)26-16(13)20-15(21)11-25-18-19-8-9-24-18/h3-7,10H,2,8-9,11H2,1H3,(H,20,21)