pyridin-2-ylmethyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: pyridin-2-ylmethyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-pyridylmethyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid 2-pyridylmethyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C22H20N2O3S/c1-16-9-11-17(12-10-16)24-21(25)15-28-20-8-3-2-7-19(20)22(26)27-14-18-6-4-5-13-23-18/h2-13H,14-15H2,1H3,(H,24,25)