ethanoic acid; 8-(hydroxymethyl)-3-methyl-1-methylsulfanyl-6-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-1H-pyrrolo[3,2-e]indol-2-one

Systemtic Name: ethanoic acid; 8-(hydroxymethyl)-3-methyl-1-methylsulfanyl-6-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-1H-pyrrolo[3,2-e]indol-2-one Openeye Name: acetic acid; 4-benzyloxy-8-(hydroxymethyl)-3-methyl-1-methylsulfanyl-6-methylsulfonyl-7,8-dihydro-1H-pyrrolo[3,2-e]indol-2-one CAS Name: acetic acid; 8-(hydroxymethyl)-3-methyl-6-methylsulfonyl-1-(methylthio)-4-phenylmethoxy-7,8-dihydro-1H-pyrrolo[3,2-e]indol-2-one IUPAC Name: acetic acid; 8-(hydroxymethyl)-3-methyl-1-methylsulfanyl-6-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-1H-pyrrolo[3,2-e]indol-2-one Traditional Name: acetic acid; 4-benzoxy-6-mesyl-3-methyl-8-methylol-1-(methylthio)-7,8-dihydro-1H-pyrrol[3,2-e]indol-2-one Formula: C23H28N2O7S2 MolecularWeight: 508.60762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CN1C(=O)C(C2=C3C(CN(C3=CC(=C21)OCC4=CC=CC=C4)S(=O)(=O)C)CO)SC

Isomeric SMILES

CC(=O)O.CN1C(=O)C(C2=C3C(CN(C3=CC(=C21)OCC4=CC=CC=C4)S(=O)(=O)C)CO)SC

InChI

InChI=1S/C21H24N2O5S2.C2H4O2/c1-22-19-16(28-12-13-7-5-4-6-8-13)9-15-17(18(19)20(29-2)21(22)25)14(11-24)10-23(15)30(3,26)27;1-2(3)4/h4-9,14,20,24H,10-12H2,1-3H3;1H3,(H,3,4)