methyl (2Z)-5-chloranyl-4-(2-methoxy-2-oxidanylidene-ethyl)-2-[(3-oxidanylidene-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate

Systemtic Name: methyl (2Z)-5-chloranyl-4-(2-methoxy-2-oxidanylidene-ethyl)-2-[(3-oxidanylidene-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate Openeye Name: methyl (2Z)-5-chloro-4-(2-methoxy-2-oxo-ethyl)-2-[[3-oxo-5-(2-thienyl)-1,2-dihydropyrazol-4-yl]methylene]pyrrole-3-carboxylate CAS Name: (2Z)-5-chloro-4-(2-methoxy-2-oxoethyl)-2-[(3-oxo-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (2Z)-5-chloro-4-(2-methoxy-2-oxoethyl)-2-[(3-oxo-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate Traditional Name: (2Z)-5-chloro-4-(2-keto-2-methoxy-ethyl)-2-[[3-keto-5-(2-thienyl)-3-pyrazolin-4-yl]methylene]pyrrole-3-carboxylic acid methyl ester Formula: C17H14ClN3O5S MolecularWeight: 407.82816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(=CC2=C(NNC2=O)C3=CC=CS3)N=C1Cl)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(/C(=C/C2=C(NNC2=O)C3=CC=CS3)/N=C1Cl)C(=O)OC

InChI

InChI=1S/C17H14ClN3O5S/c1-25-12(22)7-8-13(17(24)26-2)10(19-15(8)18)6-9-14(20-21-16(9)23)11-4-3-5-27-11/h3-6H,7H2,1-2H3,(H2,20,21,23)/b10-6-