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

Systemtic Name: ethyl 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c1-2-21-14(20)10-22-16-11-6-3-4-7-12(11)18-15-13(19-16)8-5-9-17-15/h3-9H,2,10H2,1H3,(H,17,18)