ethyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)thio]-1-oxobutyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[2-[(3-aminophenyl)thio]butanoylamino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OCC)SC3=CC=CC(=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OCC)SC3=CC=CC(=C3)N

InChI

InChI=1S/C24H26N2O3S2/c1-4-20(31-18-8-6-7-17(25)13-18)22(27)26-23-21(24(28)29-5-2)19(14-30-23)16-11-9-15(3)10-12-16/h6-14,20H,4-5,25H2,1-3H3,(H,26,27)