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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)SC3=CC=C(C=C3)N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)SC3=CC=C(C=C3)N

InChI

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