(3R)-5-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylsulfanylpropylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxamide

Systemtic Name: (3R)-5-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylsulfanylpropylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Openeye Name: (3R)-5-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylsulfanylpropylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide CAS Name: (3R)-5-(1,3-benzodioxol-5-ylmethyl)-3-[3-(methylthio)propylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide IUPAC Name: (3R)-5-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylsulfanylpropylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Traditional Name: (3R)-4-keto-3-[3-(methylthio)propylamino]-5-piperonyl-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC1CSC2=C(C=C(C=C2)C(=O)N)N(C1=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSCCCN[C@H]1CSC2=C(C=C(C=C2)C(=O)N)N(C1=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O4S2/c1-30-8-2-7-24-16-12-31-20-6-4-15(21(23)26)10-17(20)25(22(16)27)11-14-3-5-18-19(9-14)29-13-28-18/h3-6,9-10,16,24H,2,7-8,11-13H2,1H3,(H2,23,26)/t16-/m0/s1