[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [2-(4-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [2-(4-acetylanilino)-2-keto-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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