ethyl 5-morpholin-4-yl-3-phenyl-7-phenylazanyl-1,4-thiazepine-6-carboxylate

Systemtic Name: ethyl 5-morpholin-4-yl-3-phenyl-7-phenylazanyl-1,4-thiazepine-6-carboxylate Openeye Name: ethyl 7-anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carboxylate CAS Name: 7-anilino-5-(4-morpholinyl)-3-phenyl-1,4-thiazepine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-anilino-5-morpholin-4-yl-3-phenyl-1,4-thiazepine-6-carboxylate Traditional Name: 7-anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carboxylic acid ethyl ester Formula: C24H25N3O3S MolecularWeight: 435.5386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C(N=C1N2CCOCC2)C3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C(N=C1N2CCOCC2)C3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3S/c1-2-30-24(28)21-22(27-13-15-29-16-14-27)26-20(18-9-5-3-6-10-18)17-31-23(21)25-19-11-7-4-8-12-19/h3-12,17,25H,2,13-16H2,1H3