[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetate CAS Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C18H16IN3O4S MolecularWeight: 497.30681

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)OCC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)OCC(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C18H16IN3O4S/c1-25-13-6-7-14-15(8-13)22-18(21-14)27-10-17(24)26-9-16(23)20-12-4-2-11(19)3-5-12/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22)