ethyl 3-[2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetyl]amino]benzoate CAS Name: 3-[[2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-keto-2,2-dimethyl-3H-1,5-benzothiazepin-5-yl)acetyl]amino]benzoic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)CC(SC3=CC=CC=C32)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)CC(SC3=CC=CC=C32)(C)C

InChI

InChI=1S/C22H24N2O4S/c1-4-28-21(27)15-8-7-9-16(12-15)23-19(25)14-24-17-10-5-6-11-18(17)29-22(2,3)13-20(24)26/h5-12H,4,13-14H2,1-3H3,(H,23,25)