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

Systemtic Name: (3R)-3-(3-methoxypropanoylamino)-4-oxidanylidene-5-(thiophen-3-ylmethyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Openeye Name: (3R)-3-(3-methoxypropanoylamino)-4-oxo-5-(3-thienylmethyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide CAS Name: (3R)-3-[(3-methoxy-1-oxopropyl)amino]-4-oxo-5-(3-thiophenylmethyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide IUPAC Name: (3R)-3-(3-methoxypropanoylamino)-4-oxo-5-(thiophen-3-ylmethyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Traditional Name: (3R)-4-keto-3-(3-methoxypropanoylamino)-5-(3-thenyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S2/c1-26-6-4-17(23)21-14-11-28-16-3-2-13(18(20)24)8-15(16)22(19(14)25)9-12-5-7-27-10-12/h2-3,5,7-8,10,14H,4,6,9,11H2,1H3,(H2,20,24)(H,21,23)/t14-/m0/s1