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

Systemtic Name: methyl 2-[2-(3-aminophenyl)sulfanylethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-aminophenyl)sulfanylacetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)thio]-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-aminophenyl)sulfanylacetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(3-aminophenyl)thio]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=CC=CC(=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=CC=CC(=C3)N

InChI

InChI=1S/C21H20N2O3S2/c1-13-6-8-14(9-7-13)17-11-28-20(19(17)21(25)26-2)23-18(24)12-27-16-5-3-4-15(22)10-16/h3-11H,12,22H2,1-2H3,(H,23,24)