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

Systemtic Name: (3R)-5-[(1-ethanoylindol-3-yl)methyl]-3-(3-methoxypropanoylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Openeye Name: (3R)-5-[(1-acetylindol-3-yl)methyl]-3-(3-methoxypropanoylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide CAS Name: (3R)-5-[(1-acetyl-3-indolyl)methyl]-3-[(3-methoxy-1-oxopropyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide IUPAC Name: (3R)-5-[(1-acetylindol-3-yl)methyl]-3-(3-methoxypropanoylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Traditional Name: (3R)-5-[(1-acetylindol-3-yl)methyl]-4-keto-3-(3-methoxypropanoylamino)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Formula: C25H26N4O5S MolecularWeight: 494.56274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)CN3C4=C(C=CC(=C4)C(=O)N)SCC(C3=O)NC(=O)CCOC

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)CN3C4=C(C=CC(=C4)C(=O)N)SC[C@@H](C3=O)NC(=O)CCOC

InChI

InChI=1S/C25H26N4O5S/c1-15(30)28-12-17(18-5-3-4-6-20(18)28)13-29-21-11-16(24(26)32)7-8-22(21)35-14-19(25(29)33)27-23(31)9-10-34-2/h3-8,11-12,19H,9-10,13-14H2,1-2H3,(H2,26,32)(H,27,31)/t19-/m0/s1