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

Systemtic Name: ethyl 3-oxidanylidene-4-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)butanoate Openeye Name: ethyl 3-oxo-4-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)butanoate CAS Name: 3-oxo-4-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-4-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)butanoate Traditional Name: 3-keto-4-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)butyric acid ethyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-2-24-16(23)10-12(22)11-25-18-13-6-3-4-7-14(13)20-17-15(21-18)8-5-9-19-17/h3-9H,2,10-11H2,1H3,(H,19,20)