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

Systemtic Name: 2-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 2-methyl-N-[(5-methyl-2-furyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-N-[(5-methyl-2-furanyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-methyl-N-[(5-methyl-2-furyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3=CC=C(O3)C

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3=CC=C(O3)C

InChI

InChI=1S/C16H18N2O4S2/c1-10-3-4-12(22-10)9-17-24(20,21)13-5-6-15-14(8-13)18-16(19)7-11(2)23-15/h3-6,8,11,17H,7,9H2,1-2H3,(H,18,19)