(3R)-3-(3-methoxypropanoylamino)-5-[(4-methylsulfanylphenyl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxamide

Systemtic Name: (3R)-3-(3-methoxypropanoylamino)-5-[(4-methylsulfanylphenyl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Openeye Name: (3R)-3-(3-methoxypropanoylamino)-5-[(4-methylsulfanylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide CAS Name: (3R)-3-[(3-methoxy-1-oxopropyl)amino]-5-[[4-(methylthio)phenyl]methyl]-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide IUPAC Name: (3R)-3-(3-methoxypropanoylamino)-5-[(4-methylsulfanylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Traditional Name: (3R)-4-keto-3-(3-methoxypropanoylamino)-5-[4-(methylthio)benzyl]-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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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=CC=C(C=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S2/c1-29-10-9-20(26)24-17-13-31-19-8-5-15(21(23)27)11-18(19)25(22(17)28)12-14-3-6-16(30-2)7-4-14/h3-8,11,17H,9-10,12-13H2,1-2H3,(H2,23,27)(H,24,26)/t17-/m0/s1