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

Systemtic Name: (3R)-3-(3-methylsulfanylpropylamino)-4-oxidanylidene-5-(thiophen-3-ylmethyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Openeye Name: (3R)-3-(3-methylsulfanylpropylamino)-4-oxo-5-(3-thienylmethyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide CAS Name: (3R)-3-[3-(methylthio)propylamino]-4-oxo-5-(3-thiophenylmethyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide IUPAC Name: (3R)-3-(3-methylsulfanylpropylamino)-4-oxo-5-(thiophen-3-ylmethyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Traditional Name: (3R)-4-keto-3-[3-(methylthio)propylamino]-5-(3-thenyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Formula: C19H23N3O2S3 MolecularWeight: 421.59982

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC1CSC2=C(C=C(C=C2)C(=O)N)N(C1=O)CC3=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2S3/c1-25-7-2-6-21-15-12-27-17-4-3-14(18(20)23)9-16(17)22(19(15)24)10-13-5-8-26-11-13/h3-5,8-9,11,15,21H,2,6-7,10,12H2,1H3,(H2,20,23)/t15-/m0/s1