ethyl 2-[2-(4-aminophenyl)sulfanylbutanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-aminophenyl)sulfanylbutanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-aminophenyl)sulfanylbutanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(4-aminophenyl)thio]-1-oxobutyl]amino]-5-[anilino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-aminophenyl)sulfanylbutanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[2-[(4-aminophenyl)thio]butanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC=C2)C)C(=O)OCC)SC3=CC=C(C=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC=C2)C)C(=O)OCC)SC3=CC=C(C=C3)N

InChI

InChI=1S/C25H27N3O4S2/c1-4-19(33-18-13-11-16(26)12-14-18)22(29)28-24-20(25(31)32-5-2)15(3)21(34-24)23(30)27-17-9-7-6-8-10-17/h6-14,19H,4-5,26H2,1-3H3,(H,27,30)(H,28,29)