[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CN2C3=CC=CC=C3N=C2CSC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CN2C3=CC=CC=C3N=C2CSC

InChI

InChI=1S/C21H23N3O4S/c1-14-8-9-18(27-2)16(10-14)23-20(25)12-28-21(26)11-24-17-7-5-4-6-15(17)22-19(24)13-29-3/h4-10H,11-13H2,1-3H3,(H,23,25)