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

Systemtic Name: [2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic 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] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC(=O)N1C(CC(=O)NC2=CC=CC=C21)C

Isomeric SMILES

C/C=C/C(=O)OCC(=O)N1[C@H](CC(=O)NC2=CC=CC=C21)C

InChI

InChI=1S/C16H18N2O4/c1-3-6-16(21)22-10-15(20)18-11(2)9-14(19)17-12-7-4-5-8-13(12)18/h3-8,11H,9-10H2,1-2H3,(H,17,19)/b6-3+/t11-/m0/s1