methyl 4-azanyl-8-chloranyl-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-azanyl-8-chloranyl-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate Openeye Name: methyl 4-amino-8-chloro-2-thioxo-1,5-dihydro-1,5-benzodiazepine-3-carboxylate CAS Name: 4-amino-8-chloro-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-amino-8-chloro-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-amino-8-chloro-2-thioxo-1,5-dihydro-1,5-benzodiazepine-3-carboxylic acid methyl ester Formula: C11H10ClN3O2S MolecularWeight: 283.734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=C(C=C(C=C2)Cl)NC1=S)N

Isomeric SMILES

COC(=O)C1=C(NC2=C(C=C(C=C2)Cl)NC1=S)N

InChI

InChI=1S/C11H10ClN3O2S/c1-17-11(16)8-9(13)14-6-3-2-5(12)4-7(6)15-10(8)18/h2-4,14H,13H2,1H3,(H,15,18)