ethyl 2-(3-ethanoylsulfanylpropanoylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(3-ethanoylsulfanylpropanoylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(3-acetylsulfanylpropanoylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[3-(acetylthio)-1-oxopropyl]amino]-5-[anilino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-acetylsulfanylpropanoylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[3-(acetylthio)propanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CCSC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CCSC(=O)C

InChI

InChI=1S/C20H22N2O5S2/c1-4-27-20(26)16-12(2)17(18(25)21-14-8-6-5-7-9-14)29-19(16)22-15(24)10-11-28-13(3)23/h5-9H,4,10-11H2,1-3H3,(H,21,25)(H,22,24)