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

Systemtic Name: methyl 2-[2-(3-aminophenyl)sulfanylpropanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-aminophenyl)sulfanylpropanoylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)thio]-1-oxopropyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-aminophenyl)sulfanylpropanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[2-[(3-aminophenyl)thio]propanoylamino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C(C)SC3=CC=CC(=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C(C)SC3=CC=CC(=C3)N

InChI

InChI=1S/C22H22N2O3S2/c1-13-7-9-15(10-8-13)18-12-28-21(19(18)22(26)27-3)24-20(25)14(2)29-17-6-4-5-16(23)11-17/h4-12,14H,23H2,1-3H3,(H,24,25)