(5-ethanoyl-2-methoxy-phenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]nicotinic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C25H22N2O7S MolecularWeight: 494.51638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H22N2O7S/c1-15(28)16-5-7-20(31-2)17(10-16)12-32-25(30)19-4-3-9-26-24(19)35-13-23(29)27-18-6-8-21-22(11-18)34-14-33-21/h3-11H,12-14H2,1-2H3,(H,27,29)