2-(4-methoxyphenyl)-5H-1,5-benzothiazepine-3,4-dione

Systemtic Name: 2-(4-methoxyphenyl)-5H-1,5-benzothiazepine-3,4-dione Openeye Name: 2-(4-methoxyphenyl)-5H-1,5-benzothiazepine-3,4-dione CAS Name: 2-(4-methoxyphenyl)-5H-1,5-benzothiazepine-3,4-dione IUPAC Name: 2-(4-methoxyphenyl)-5H-1,5-benzothiazepine-3,4-dione Traditional Name: 2-(4-methoxyphenyl)-5H-1,5-benzothiazepine-3,4-quinone Formula: C16H13NO3S MolecularWeight: 299.34432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=O)C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=C(C=C1)C2C(=O)C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13NO3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15/h2-9,15H,1H3,(H,17,19)