[2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] 2,2-dimethylpropanoate Openeye Name: [2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester IUPAC Name: [2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-keto-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1C(SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C(=O)OC1C(SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23NO4S/c1-21(2,3)20(24)26-17-18(13-9-11-14(25-4)12-10-13)27-16-8-6-5-7-15(16)22-19(17)23/h5-12,17-18H,1-4H3,(H,22,23)