[4-[2-(1H-indol-3-yl)ethylcarbamothioylsulfanylmethyl]-2-oxidanylidene-chromen-7-yl] ethanoate

Systemtic Name: [4-[2-(1H-indol-3-yl)ethylcarbamothioylsulfanylmethyl]-2-oxidanylidene-chromen-7-yl] ethanoate Openeye Name: [4-[2-(1H-indol-3-yl)ethylcarbamothioylsulfanylmethyl]-2-oxo-chromen-7-yl] acetate CAS Name: acetic acid [4-[[[[2-(1H-indol-3-yl)ethylamino]-sulfanylidenemethyl]thio]methyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [4-[2-(1H-indol-3-yl)ethylcarbamothioylsulfanylmethyl]-2-oxochromen-7-yl] acetate Traditional Name: acetic acid [4-[[2-(1H-indol-3-yl)ethylthiocarbamoylthio]methyl]-2-keto-chromen-7-yl] ester Formula: C23H20N2O4S2 MolecularWeight: 452.5459

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=S)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=S)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H20N2O4S2/c1-14(26)28-17-6-7-19-16(10-22(27)29-21(19)11-17)13-31-23(30)24-9-8-15-12-25-20-5-3-2-4-18(15)20/h2-7,10-12,25H,8-9,13H2,1H3,(H,24,30)