[2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-(2-acetylanilino)-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [2-(2-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylanilino)-2-oxoethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [2-(2-acetylanilino)-2-keto-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)CN2C3=CC=CC=C3N=C2CSC

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)CN2C3=CC=CC=C3N=C2CSC

InChI

InChI=1S/C21H21N3O4S/c1-14(25)15-7-3-4-8-16(15)23-20(26)12-28-21(27)11-24-18-10-6-5-9-17(18)22-19(24)13-29-2/h3-10H,11-13H2,1-2H3,(H,23,26)