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

Systemtic Name: 3-methyl-4-oxidanylidene-N-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 3-methyl-4-oxo-N-(2-thienylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 3-methyl-4-oxo-N-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 3-methyl-4-oxo-N-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-3-methyl-N-(2-thenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C15H16N2O3S3 MolecularWeight: 368.49414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CS3)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CS3)NC1=O

InChI

InChI=1S/C15H16N2O3S3/c1-10-9-22-14-5-4-12(7-13(14)17-15(10)18)23(19,20)16-8-11-3-2-6-21-11/h2-7,10,16H,8-9H2,1H3,(H,17,18)