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

Systemtic Name: (3R)-5-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropanoylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Openeye Name: (3R)-5-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropanoylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide CAS Name: (3R)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxy-1-oxopropyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide IUPAC Name: (3R)-5-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxypropanoylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Traditional Name: (3R)-4-keto-3-(3-methoxypropanoylamino)-5-piperonyl-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)NC1CSC2=C(C=C(C=C2)C(=O)N)N(C1=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6S/c1-29-7-6-20(26)24-15-11-32-19-5-3-14(21(23)27)9-16(19)25(22(15)28)10-13-2-4-17-18(8-13)31-12-30-17/h2-5,8-9,15H,6-7,10-12H2,1H3,(H2,23,27)(H,24,26)/t15-/m0/s1