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

Systemtic Name: methyl 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[4-[(4-chlorophenyl)thio]butanoylamino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C22H20ClNO3S2 MolecularWeight: 445.9821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO3S2/c1-27-22(26)21-18(14-19(29-21)15-6-3-2-4-7-15)24-20(25)8-5-13-28-17-11-9-16(23)10-12-17/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,24,25)