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

Systemtic Name: (3R)-3-(2-chloroethylcarbamoylamino)-5-[(1-ethanoylindol-3-yl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Openeye Name: (3R)-5-[(1-acetylindol-3-yl)methyl]-3-(2-chloroethylcarbamoylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide CAS Name: (3R)-5-[(1-acetyl-3-indolyl)methyl]-3-[[(2-chloroethylamino)-oxomethyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide IUPAC Name: (3R)-5-[(1-acetylindol-3-yl)methyl]-3-(2-chloroethylcarbamoylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Traditional Name: (3R)-5-[(1-acetylindol-3-yl)methyl]-3-(2-chloroethylcarbamoylamino)-4-keto-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Formula: C24H24ClN5O4S MolecularWeight: 513.99646

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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)NCCCl

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)NCCCl

InChI

InChI=1S/C24H24ClN5O4S/c1-14(31)29-11-16(17-4-2-3-5-19(17)29)12-30-20-10-15(22(26)32)6-7-21(20)35-13-18(23(30)33)28-24(34)27-9-8-25/h2-7,10-11,18H,8-9,12-13H2,1H3,(H2,26,32)(H2,27,28,34)/t18-/m0/s1