methyl 4-[2-[5-methoxy-4-oxidanylidene-2-(phenylsulfanylmethyl)pyridin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-methoxy-4-oxidanylidene-2-(phenylsulfanylmethyl)pyridin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridyl]acetyl]amino]benzoate CAS Name: 4-[[2-[5-methoxy-4-oxo-2-[(phenylthio)methyl]-1-pyridinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)pyridin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-5-methoxy-2-[(phenylthio)methyl]-1-pyridyl]acetyl]amino]benzoic acid methyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)CSC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CN(C(=CC1=O)CSC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H22N2O5S/c1-29-21-13-25(18(12-20(21)26)15-31-19-6-4-3-5-7-19)14-22(27)24-17-10-8-16(9-11-17)23(28)30-2/h3-13H,14-15H2,1-2H3,(H,24,27)