tert-butyl 7-chloranyl-3-propan-2-yl-2-sulfanylidene-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 7-chloranyl-3-propan-2-yl-2-sulfanylidene-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 7-chloro-3-isopropyl-2-thioxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate CAS Name: 7-chloro-3-propan-2-yl-2-sulfanylidene-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-chloro-3-propan-2-yl-2-sulfanylidene-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate Traditional Name: 7-chloro-3-isopropyl-2-thioxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C17H23ClN2O2S MolecularWeight: 354.89472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=S)NC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)Cl

Isomeric SMILES

CC(C)C1C(=S)NC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)Cl

InChI

InChI=1S/C17H23ClN2O2S/c1-10(2)14-15(23)19-13-7-6-12(18)8-11(13)9-20(14)16(21)22-17(3,4)5/h6-8,10,14H,9H2,1-5H3,(H,19,23)