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

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

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=NC=CS3)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=NC=CS3)NC1=O

InChI

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