(1-methyl-8-methylsulfanyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl) ethanoate

Systemtic Name: (1-methyl-8-methylsulfanyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl) ethanoate Openeye Name: (1-methyl-8-methylsulfanyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl) acetate CAS Name: acetic acid [1-methyl-8-(methylthio)-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl] ester IUPAC Name: (1-methyl-8-methylsulfanyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl) acetate Traditional Name: acetic acid [1-methyl-8-(methylthio)-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl] ester Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2N1C3=C(C=C(C=C3)SC)C(=NC2OC(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CN=C2N1C3=C(C=C(C=C3)SC)C(=NC2OC(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S/c1-13-12-22-20-21(26-14(2)25)23-19(15-7-5-4-6-8-15)17-11-16(27-3)9-10-18(17)24(13)20/h4-12,21H,1-3H3