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

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

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCC3=C(C=CS3)C

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCC3=C(C=CS3)C

InChI

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