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

Systemtic Name: 3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 3-methyl-N-[2-(3-methyl-2-thienyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 3-methyl-N-[2-(3-methyl-2-thiophenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-3-methyl-N-[2-(3-methyl-2-thienyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C17H20N2O3S3 MolecularWeight: 396.5473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S3/c1-11-6-8-23-15(11)5-7-18-25(21,22)13-3-4-16-14(9-13)19-17(20)12(2)10-24-16/h3-4,6,8-9,12,18H,5,7,10H2,1-2H3,(H,19,20)