methyl 3-(1,3-dithian-2-ylidenemethyl)-2-(3-methoxy-3-oxidanylidene-propyl)-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: methyl 3-(1,3-dithian-2-ylidenemethyl)-2-(3-methoxy-3-oxidanylidene-propyl)-3,4-dihydropyrazole-5-carboxylate Openeye Name: methyl 3-(1,3-dithian-2-ylidenemethyl)-2-(3-methoxy-3-oxo-propyl)-3,4-dihydropyrazole-5-carboxylate CAS Name: 3-(1,3-dithian-2-ylidenemethyl)-2-(3-methoxy-3-oxopropyl)-3,4-dihydropyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-dithian-2-ylidenemethyl)-2-(3-methoxy-3-oxopropyl)-3,4-dihydropyrazole-5-carboxylate Traditional Name: 5-(1,3-dithian-2-ylidenemethyl)-1-(3-keto-3-methoxy-propyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C14H20N2O4S2 MolecularWeight: 344.4496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(CC(=N1)C(=O)OC)C=C2SCCCS2

Isomeric SMILES

COC(=O)CCN1C(CC(=N1)C(=O)OC)C=C2SCCCS2

InChI

InChI=1S/C14H20N2O4S2/c1-19-12(17)4-5-16-10(8-11(15-16)14(18)20-2)9-13-21-6-3-7-22-13/h9-10H,3-8H2,1-2H3