cyclohexyl 2-(3-oxidanylidene-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-(3-prop-2-enoxyphenyl)ethanoate

Systemtic Name: cyclohexyl 2-(3-oxidanylidene-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-(3-prop-2-enoxyphenyl)ethanoate Openeye Name: cyclohexyl 2-(3-allyloxyphenyl)-2-(3-oxo-4-thioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)acetate CAS Name: 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-(3-prop-2-enoxyphenyl)acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-(3-prop-2-enoxyphenyl)acetate Traditional Name: 2-(3-allyloxyphenyl)-2-(3-keto-4-thioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)acetic acid cyclohexyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C(C(=O)OC2CCCCC2)N3C=CC4=C(C3=S)C(=O)NN4

Isomeric SMILES

C=CCOC1=CC=CC(=C1)C(C(=O)OC2CCCCC2)N3C=CC4=C(C3=S)C(=O)NN4

InChI

InChI=1S/C23H25N3O4S/c1-2-13-29-17-10-6-7-15(14-17)20(23(28)30-16-8-4-3-5-9-16)26-12-11-18-19(22(26)31)21(27)25-24-18/h2,6-7,10-12,14,16,20H,1,3-5,8-9,13H2,(H2,24,25,27)