methyl 5-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanylmethyl)furan-2-carboxylate

Systemtic Name: methyl 5-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanylmethyl)furan-2-carboxylate Openeye Name: methyl 5-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanylmethyl)furan-2-carboxylate CAS Name: 5-[(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanylmethyl)furan-2-carboxylate Traditional Name: 5-[(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)methyl]furan-2-carboxylic acid methyl ester Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

InChI

InChI=1S/C19H15N3O3S/c1-24-19(23)16-9-8-12(25-16)11-26-18-13-5-2-3-6-14(13)21-17-15(22-18)7-4-10-20-17/h2-10H,11H2,1H3,(H,20,21)