ethyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[3-[(3,4-dimethylphenyl)thio]propanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CCSC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CCSC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H26N2O4S2/c1-6-27-21(26)17-14(4)18(19(25)22-5)29-20(17)23-16(24)9-10-28-15-8-7-12(2)13(3)11-15/h7-8,11H,6,9-10H2,1-5H3,(H,22,25)(H,23,24)