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

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-yloxyphenyl)ethyl] 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoate Openeye Name: [2-(4-isopropoxyphenyl)-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-oxo-2-(4-propan-2-yloxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-yloxyphenyl)ethyl] 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetic acid [2-(4-isopropoxyphenyl)-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C21H22N2O5S/c1-13(2)28-15-6-4-14(5-7-15)19(24)11-27-20(25)12-29-21-22-17-9-8-16(26-3)10-18(17)23-21/h4-10,13H,11-12H2,1-3H3,(H,22,23)