methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]benzothiophene-3-carboxylate CAS Name: 2-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-[(4-chlorophenyl)thio]butanoylamino]benzothiophene-3-carboxylic acid methyl ester Formula: C20H18ClNO3S2 MolecularWeight: 419.94482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClNO3S2/c1-25-20(24)18-15-5-2-3-6-16(15)27-19(18)22-17(23)7-4-12-26-14-10-8-13(21)9-11-14/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,22,23)