ethyl 4-azanyl-9-methyl-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-azanyl-9-methyl-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-amino-9-methyl-2-thioxo-1,5-dihydro-1,5-benzodiazepine-3-carboxylate CAS Name: 4-amino-9-methyl-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-9-methyl-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-amino-9-methyl-2-thioxo-1,5-dihydro-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC(=C2NC1=S)C)N

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC(=C2NC1=S)C)N

InChI

InChI=1S/C13H15N3O2S/c1-3-18-13(17)9-11(14)15-8-6-4-5-7(2)10(8)16-12(9)19/h4-6,15H,3,14H2,1-2H3,(H,16,19)