methyl 7-tert-butylsulfanyl-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepine-5-carboxylate

Systemtic Name: methyl 7-tert-butylsulfanyl-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepine-5-carboxylate Openeye Name: methyl 7-tert-butylsulfanyl-2-oxo-1,3-dihydro-1,4-benzodiazepine-5-carboxylate CAS Name: 7-(tert-butylthio)-2-oxo-1,3-dihydro-1,4-benzodiazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 7-tert-butylsulfanyl-2-oxo-1,3-dihydro-1,4-benzodiazepine-5-carboxylate Traditional Name: 7-(tert-butylthio)-2-keto-1,3-dihydro-1,4-benzodiazepine-5-carboxylic acid methyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC2=C(C=C1)NC(=O)CN=C2C(=O)OC

Isomeric SMILES

CC(C)(C)SC1=CC2=C(C=C1)NC(=O)CN=C2C(=O)OC

InChI

InChI=1S/C15H18N2O3S/c1-15(2,3)21-9-5-6-11-10(7-9)13(14(19)20-4)16-8-12(18)17-11/h5-7H,8H2,1-4H3,(H,17,18)