ethyl 4-aminocarbonyl-3-methyl-5-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-3-methyl-5-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-carbamoyl-3-methyl-5-[3-(p-tolylsulfanyl)propanoylamino]thiophene-2-carboxylate CAS Name: 4-carbamoyl-3-methyl-5-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-3-methyl-5-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylate Traditional Name: 4-carbamoyl-3-methyl-5-[3-(p-tolylthio)propanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=CC=C(C=C2)C)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=CC=C(C=C2)C)C(=O)N)C

InChI

InChI=1S/C19H22N2O4S2/c1-4-25-19(24)16-12(3)15(17(20)23)18(27-16)21-14(22)9-10-26-13-7-5-11(2)6-8-13/h5-8H,4,9-10H2,1-3H3,(H2,20,23)(H,21,22)