[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)CSC3=CC=CC=C3C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)CSC3=CC=CC=C3C

InChI

InChI=1S/C21H21NO3S/c1-3-15-8-6-9-16-17(11-22-21(15)16)18(23)12-25-20(24)13-26-19-10-5-4-7-14(19)2/h4-11,22H,3,12-13H2,1-2H3