methyl (E,2E)-2-[3-cyano-1-(4-hydroxyphenyl)-5-oxidanylidene-pyrazol-4-ylidene]-4-(5-methylthiophen-2-yl)but-3-enoate

Systemtic Name: methyl (E,2E)-2-[3-cyano-1-(4-hydroxyphenyl)-5-oxidanylidene-pyrazol-4-ylidene]-4-(5-methylthiophen-2-yl)but-3-enoate Openeye Name: methyl (E,2E)-2-[3-cyano-1-(4-hydroxyphenyl)-5-oxo-pyrazol-4-ylidene]-4-(5-methyl-2-thienyl)but-3-enoate CAS Name: (E,2E)-2-[3-cyano-1-(4-hydroxyphenyl)-5-oxo-4-pyrazolylidene]-4-(5-methyl-2-thiophenyl)-3-butenoic acid methyl ester IUPAC Name: methyl (E,2E)-2-[3-cyano-1-(4-hydroxyphenyl)-5-oxopyrazol-4-ylidene]-4-(5-methylthiophen-2-yl)but-3-enoate Traditional Name: (E,2E)-2-[3-cyano-1-(4-hydroxyphenyl)-5-keto-2-pyrazolin-4-ylidene]-4-(5-methyl-2-thienyl)but-3-enoic acid methyl ester Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=C2C(=NN(C2=O)C3=CC=C(C=C3)O)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=C\2/C(=NN(C2=O)C3=CC=C(C=C3)O)C#N)/C(=O)OC

InChI

InChI=1S/C20H15N3O4S/c1-12-3-8-15(28-12)9-10-16(20(26)27-2)18-17(11-21)22-23(19(18)25)13-4-6-14(24)7-5-13/h3-10,24H,1-2H3/b10-9+,18-16+