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

Systemtic Name: methyl 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(NC3=CC=CC=C31)N=CC=C2

Isomeric SMILES

COC(=O)CSC1=NC2=C(NC3=CC=CC=C31)N=CC=C2

InChI

InChI=1S/C15H13N3O2S/c1-20-13(19)9-21-15-10-5-2-3-6-11(10)17-14-12(18-15)7-4-8-16-14/h2-8H,9H2,1H3,(H,16,17)