(phenylmethyl) 2-[3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-(5-methylfuran-2-yl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-(5-methylfuran-2-yl)pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-(5-methyl-2-furyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-5-[(2-methoxyanilino)-oxomethyl]-6-methyl-4-(5-methyl-2-furanyl)-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-(5-methylfuran-2-yl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-(5-methyl-2-furyl)-2-pyridyl]thio]acetic acid benzyl ester Formula: C29H25N3O5S MolecularWeight: 527.5909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=C(C(=NC(=C2C(=O)NC3=CC=CC=C3OC)C)SCC(=O)OCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(O1)C2=C(C(=NC(=C2C(=O)NC3=CC=CC=C3OC)C)SCC(=O)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C29H25N3O5S/c1-18-13-14-24(37-18)27-21(15-30)29(38-17-25(33)36-16-20-9-5-4-6-10-20)31-19(2)26(27)28(34)32-22-11-7-8-12-23(22)35-3/h4-14H,16-17H2,1-3H3,(H,32,34)