[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OCC(=O)NCCC2=CC=CC=C2C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)OCC(=O)NCCC2=CC=CC=C2C

InChI

InChI=1S/C21H25NO4S/c1-3-25-18-8-10-19(11-9-18)27-15-21(24)26-14-20(23)22-13-12-17-7-5-4-6-16(17)2/h4-11H,3,12-15H2,1-2H3,(H,22,23)