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

Systemtic Name: ethyl 4-azanyl-8-chloranyl-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C12H12ClN3O2S MolecularWeight: 297.76058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN3O2S/c1-2-18-12(17)9-10(14)15-7-4-3-6(13)5-8(7)16-11(9)19/h3-5,15H,2,14H2,1H3,(H,16,19)