diethyl 2-acetamido-2-[5-(2,3-dihydroindol-1-yl)-2-ethoxycarbothioylsulfanyl-5-oxidanylidene-pentyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[5-(2,3-dihydroindol-1-yl)-2-ethoxycarbothioylsulfanyl-5-oxidanylidene-pentyl]propanedioate Openeye Name: diethyl 2-acetamido-2-(2-ethoxycarbothioylsulfanyl-5-indolin-1-yl-5-oxo-pentyl)propanedioate CAS Name: 2-acetamido-2-[5-(2,3-dihydroindol-1-yl)-2-[[ethoxy(sulfanylidene)methyl]thio]-5-oxopentyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[5-(2,3-dihydroindol-1-yl)-2-ethoxycarbothioylsulfanyl-5-oxopentyl]propanedioate Traditional Name: 2-acetamido-2-[2-(ethoxycarbothioylthio)-5-indolin-1-yl-5-keto-pentyl]malonic acid diethyl ester Formula: C25H34N2O7S2 MolecularWeight: 538.67666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CCC(=O)N1CCC2=CC=CC=C21)SC(=S)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC(CCC(=O)N1CCC2=CC=CC=C21)SC(=S)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C25H34N2O7S2/c1-5-32-22(30)25(26-17(4)28,23(31)33-6-2)16-19(36-24(35)34-7-3)12-13-21(29)27-15-14-18-10-8-9-11-20(18)27/h8-11,19H,5-7,12-16H2,1-4H3,(H,26,28)