methyl 4-(4-chlorophenyl)-2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H18ClN3O3S2 MolecularWeight: 471.97962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)OC

InChI

InChI=1S/C22H18ClN3O3S2/c1-12-3-8-16-17(9-12)25-22(24-16)31-11-18(27)26-20-19(21(28)29-2)15(10-30-20)13-4-6-14(23)7-5-13/h3-10H,11H2,1-2H3,(H,24,25)(H,26,27)