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

Systemtic Name: 2-methyl-4-oxidanylidene-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 2-methyl-4-oxo-N-thiazol-2-yl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-4-oxo-N-(2-thiazolyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-methyl-N-thiazol-2-yl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C13H13N3O3S3 MolecularWeight: 355.45562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=NC=CS3

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=NC=CS3

InChI

InChI=1S/C13H13N3O3S3/c1-8-6-12(17)15-10-7-9(2-3-11(10)21-8)22(18,19)16-13-14-4-5-20-13/h2-5,7-8H,6H2,1H3,(H,14,16)(H,15,17)