[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CN2C3=CC=CC=C3N=C2CSC

InChI

InChI=1S/C21H23N3O3S/c1-14-8-10-16(11-9-14)22-21(26)15(2)27-20(25)12-24-18-7-5-4-6-17(18)23-19(24)13-28-3/h4-11,15H,12-13H2,1-3H3,(H,22,26)/t15-/m0/s1