[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)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-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O4S/c1-26-16-6-8-17(9-7-16)28-14-21(25)27-13-20(24)22-11-10-15-12-23-19-5-3-2-4-18(15)19/h2-9,12,23H,10-11,13-14H2,1H3,(H,22,24)