ethyl 2-oxidanylidene-3-[(1,3,4-thiadiazol-2-ylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-3-[(1,3,4-thiadiazol-2-ylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Openeye Name: ethyl 2-oxo-3-[(1,3,4-thiadiazol-2-ylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylate CAS Name: 2-oxo-3-[(1,3,4-thiadiazol-2-ylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-3-[(1,3,4-thiadiazol-2-ylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Traditional Name: 2-keto-3-[(1,3,4-thiadiazol-2-ylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)NC2=CC=CC=C2N1)CNC3=NN=CS3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)NC2=CC=CC=C2N1)CNC3=NN=CS3

InChI

InChI=1S/C15H15N5O3S/c1-2-23-14(22)12-9(7-16-15-20-17-8-24-15)13(21)19-11-6-4-3-5-10(11)18-12/h3-6,8,18H,2,7H2,1H3,(H,16,20)(H,19,21)