N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C19H19N3O4S3 MolecularWeight: 449.56686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC4=C(C=C3)SC(CC(=O)N4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC4=C(C=C3)SC(CC(=O)N4)C

InChI

InChI=1S/C19H19N3O4S3/c1-3-26-12-4-6-14-17(9-12)28-19(21-14)22-29(24,25)13-5-7-16-15(10-13)20-18(23)8-11(2)27-16/h4-7,9-11H,3,8H2,1-2H3,(H,20,23)(H,21,22)