methyl 6-[2-[2-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[2-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-[2-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]sulfanylacetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]thio]-1-oxoethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylacetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-[2-[[2-(2,5-dimethoxyanilino)-2-keto-ethyl]thio]acetyl]pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C23H26N4O7S MolecularWeight: 502.54014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSCC(=O)N2CCCN2C(=O)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSCC(=O)N2CCCN2C(=O)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H26N4O7S/c1-32-16-6-8-19(33-2)18(11-16)25-20(28)13-35-14-21(29)26-9-4-10-27(26)22(30)17-7-5-15(12-24-17)23(31)34-3/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,25,28)