ethyl 3-(5-oxidanylidene-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-4-yl)propanoate

Systemtic Name: ethyl 3-(5-oxidanylidene-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-4-yl)propanoate Openeye Name: ethyl 3-(5-oxo-2-thioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)propanoate CAS Name: 3-(5-oxo-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-4-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(5-oxo-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-4-yl)propanoate Traditional Name: 3-(5-keto-2-thioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)propionic acid ethyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CC(=S)NC2=CC=CC=C2C1=O

Isomeric SMILES

CCOC(=O)CCN1CC(=S)NC2=CC=CC=C2C1=O

InChI

InChI=1S/C14H16N2O3S/c1-2-19-13(17)7-8-16-9-12(20)15-11-6-4-3-5-10(11)14(16)18/h3-6H,2,7-9H2,1H3,(H,15,20)