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

Systemtic Name: [2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl] (E)-pent-2-enoate Openeye Name: [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic 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)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-3-4-9-17(22)23-11-16(21)19-12(2)10-15(20)18-13-7-5-6-8-14(13)19/h4-9,12H,3,10-11H2,1-2H3,(H,18,20)/b9-4+/t12-/m0/s1