methyl (2Z)-2-[(4S)-4-(1H-indol-2-ylmethyl)-2-oxidanylidene-3,4-dihydro-1H-1,3-benzodiazepin-5-ylidene]ethanoate

Systemtic Name: methyl (2Z)-2-[(4S)-4-(1H-indol-2-ylmethyl)-2-oxidanylidene-3,4-dihydro-1H-1,3-benzodiazepin-5-ylidene]ethanoate Openeye Name: methyl (2Z)-2-[(4S)-4-(1H-indol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-1,3-benzodiazepin-5-ylidene]acetate CAS Name: (2Z)-2-[(4S)-4-(1H-indol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-1,3-benzodiazepin-5-ylidene]acetic acid methyl ester IUPAC Name: methyl (2Z)-2-[(4S)-4-(1H-indol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-1,3-benzodiazepin-5-ylidene]acetate Traditional Name: (2Z)-2-[(4S)-4-(1H-indol-2-ylmethyl)-2-keto-3,4-dihydro-1H-1,3-benzodiazepin-5-ylidene]acetic acid methyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1C(NC(=O)NC2=CC=CC=C21)CC3=CC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)/C=C/1\[C@@H](NC(=O)NC2=CC=CC=C21)CC3=CC4=CC=CC=C4N3

InChI

InChI=1S/C21H19N3O3/c1-27-20(25)12-16-15-7-3-5-9-18(15)23-21(26)24-19(16)11-14-10-13-6-2-4-8-17(13)22-14/h2-10,12,19,22H,11H2,1H3,(H2,23,24,26)/b16-12-/t19-/m0/s1