[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-propoxybenzoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-propoxybenzoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)C

InChI

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