[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C21H21N3O5/c1-13-10-19(26)23-17-8-3-4-9-18(17)24(13)20(27)12-29-21(28)15-6-5-7-16(11-15)22-14(2)25/h3-9,11,13H,10,12H2,1-2H3,(H,22,25)(H,23,26)/t13-/m0/s1