(phenylmethyl) 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanoate

Systemtic Name: (phenylmethyl) 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanoate Openeye Name: benzyl 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetate CAS Name: 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetate Traditional Name: 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)acetic acid benzyl ester Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

InChI

InChI=1S/C21H17N3O2S/c25-19(26-13-15-7-2-1-3-8-15)14-27-21-16-9-4-5-10-17(16)23-20-18(24-21)11-6-12-22-20/h1-12H,13-14H2,(H,22,23)