(1-methylpiperidin-4-yl) 1-chloranyl-4-oxidanylidene-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate

Systemtic Name: (1-methylpiperidin-4-yl) 1-chloranyl-4-oxidanylidene-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate Openeye Name: (1-methyl-4-piperidyl) 1-chloro-4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate CAS Name: 1-chloro-4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylic acid (1-methyl-4-piperidinyl) ester IUPAC Name: (1-methylpiperidin-4-yl) 1-chloro-4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate Traditional Name: 1-chloro-4-keto-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylic acid (1-methyl-4-piperidyl) ester Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC(=O)N2C3=CC=CC=C3NC(=O)C4=CSC(=C42)Cl

Isomeric SMILES

CN1CCC(CC1)OC(=O)N2C3=CC=CC=C3NC(=O)C4=CSC(=C42)Cl

InChI

InChI=1S/C18H18ClN3O3S/c1-21-8-6-11(7-9-21)25-18(24)22-14-5-3-2-4-13(14)20-17(23)12-10-26-16(19)15(12)22/h2-5,10-11H,6-9H2,1H3,(H,20,23)