ethyl 4-[3-(1-oxidanylidene-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepin-2-yl)propyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(1-oxidanylidene-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepin-2-yl)propyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(1-oxo-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepin-2-yl)propyl]piperazine-1-carboxylate CAS Name: 4-[3-(1-oxo-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepin-2-yl)propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1-oxo-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepin-2-yl)propyl]piperazine-1-carboxylate Traditional Name: 4-[3-(1-keto-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepin-2-yl)propyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H27N5O3S MolecularWeight: 417.52508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CCCN2C(=O)N3C(=N2)CCSC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CCCN2C(=O)N3C(=N2)CCSC4=CC=CC=C43

InChI

InChI=1S/C20H27N5O3S/c1-2-28-20(27)23-13-11-22(12-14-23)9-5-10-24-19(26)25-16-6-3-4-7-17(16)29-15-8-18(25)21-24/h3-4,6-7H,2,5,8-15H2,1H3