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

Systemtic Name: ethyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)thio]-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(3-aminophenyl)thio]butanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3S2/c1-3-19(30-17-12-8-11-16(24)13-17)21(26)25-22-20(23(27)28-4-2)18(14-29-22)15-9-6-5-7-10-15/h5-14,19H,3-4,24H2,1-2H3,(H,25,26)