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

Systemtic Name: ethyl 3-methyl-5-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[3-(p-tolylsulfanyl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[3-(p-tolylthio)propanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C18H21NO3S2 MolecularWeight: 363.49424

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3S2/c1-4-22-18(21)17-13(3)11-16(24-17)19-15(20)9-10-23-14-7-5-12(2)6-8-14/h5-8,11H,4,9-10H2,1-3H3,(H,19,20)