[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C19H23N3O3S2/c23-17(12-25-18(24)13-27-19(26)22-9-3-4-10-22)20-8-7-14-11-21-16-6-2-1-5-15(14)16/h1-2,5-6,11,21H,3-4,7-10,12-13H2,(H,20,23)