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

Systemtic Name: 3-methyl-4-oxidanylidene-N-(2-thiophen-2-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 3-methyl-4-oxo-N-[2-(2-thienyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 3-methyl-4-oxo-N-(2-thiophen-2-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 3-methyl-4-oxo-N-(2-thiophen-2-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-3-methyl-N-[2-(2-thienyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C16H18N2O3S3 MolecularWeight: 382.52072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=CS3)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=CS3)NC1=O

InChI

InChI=1S/C16H18N2O3S3/c1-11-10-23-15-5-4-13(9-14(15)18-16(11)19)24(20,21)17-7-6-12-3-2-8-22-12/h2-5,8-9,11,17H,6-7,10H2,1H3,(H,18,19)