[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl] 2-methylbenzoate

Systemtic Name: [2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl] 2-methylbenzoate Openeye Name: [2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-[2-[(2-cyanophenyl)methylthio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxoethyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-[2-[(2-cyanobenzyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C20H20N2O3S/c1-15-6-2-5-9-18(15)20(24)25-13-19(23)22-10-11-26-14-17-8-4-3-7-16(17)12-21/h2-9H,10-11,13-14H2,1H3,(H,22,23)