pyridin-2-ylmethyl 2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: pyridin-2-ylmethyl 2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-pyridylmethyl 2-[2-(3-methoxyanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-methoxyanilino)-2-oxoethyl]thio]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(m-anisidino)ethyl]thio]benzoic acid 2-pyridylmethyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=CC=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C22H20N2O4S/c1-27-18-9-6-8-16(13-18)24-21(25)15-29-20-11-3-2-10-19(20)22(26)28-14-17-7-4-5-12-23-17/h2-13H,14-15H2,1H3,(H,24,25)