3-methyl-N-[3-(1,2-oxazol-5-yl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: 3-methyl-N-[3-(1,2-oxazol-5-yl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(3-isoxazol-5-ylphenyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[3-(5-isoxazolyl)phenyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 3-methyl-N-[3-(1,2-oxazol-5-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(3-isoxazol-5-ylphenyl)-4-keto-3-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C4=CC=NO4)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C4=CC=NO4)NC1=O

InChI

InChI=1S/C19H17N3O4S2/c1-12-11-27-18-6-5-15(10-16(18)21-19(12)23)28(24,25)22-14-4-2-3-13(9-14)17-7-8-20-26-17/h2-10,12,22H,11H2,1H3,(H,21,23)