[(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-methylbenzimidazol-1-yl)ethanoate

Systemtic Name: [(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-methylbenzimidazol-1-yl)ethanoate Openeye Name: [(1S)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 2-(2-methylbenzimidazol-1-yl)acetate CAS Name: 2-(2-methyl-1-benzimidazolyl)acetic acid [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-methylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-methylbenzimidazol-1-yl)acetic acid [(1S)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC(=O)OC(C)C(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H21N3O4/c1-13(25)16-8-10-17(11-9-16)23-21(27)14(2)28-20(26)12-24-15(3)22-18-6-4-5-7-19(18)24/h4-11,14H,12H2,1-3H3,(H,23,27)/t14-/m0/s1