ethyl 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[4-[(4-chlorophenyl)thio]butanoylamino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H22ClNO3S2 MolecularWeight: 460.00868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H22ClNO3S2/c1-2-28-23(27)22-19(15-20(30-22)16-7-4-3-5-8-16)25-21(26)9-6-14-29-18-12-10-17(24)11-13-18/h3-5,7-8,10-13,15H,2,6,9,14H2,1H3,(H,25,26)