methyl (E,2Z)-4-[5-(dimethylamino)thiophen-2-yl]-2-(3-methyl-5-oxidanylidene-1-pyridin-2-yl-pyrazol-4-ylidene)but-3-enoate

Systemtic Name: methyl (E,2Z)-4-[5-(dimethylamino)thiophen-2-yl]-2-(3-methyl-5-oxidanylidene-1-pyridin-2-yl-pyrazol-4-ylidene)but-3-enoate Openeye Name: methyl (E,2Z)-4-[5-(dimethylamino)-2-thienyl]-2-[3-methyl-5-oxo-1-(2-pyridyl)pyrazol-4-ylidene]but-3-enoate CAS Name: (E,2Z)-4-[5-(dimethylamino)-2-thiophenyl]-2-[3-methyl-5-oxo-1-(2-pyridinyl)-4-pyrazolylidene]-3-butenoic acid methyl ester IUPAC Name: methyl (E,2Z)-4-[5-(dimethylamino)thiophen-2-yl]-2-(3-methyl-5-oxo-1-pyridin-2-ylpyrazol-4-ylidene)but-3-enoate Traditional Name: (E,2Z)-4-[5-(dimethylamino)-2-thienyl]-2-[5-keto-3-methyl-1-(2-pyridyl)-2-pyrazolin-4-ylidene]but-3-enoic acid methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C=CC2=CC=C(S2)N(C)C)C(=O)OC)C3=CC=CC=N3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(/C=C/C2=CC=C(S2)N(C)C)\C(=O)OC)C3=CC=CC=N3

InChI

InChI=1S/C20H20N4O3S/c1-13-18(19(25)24(22-13)16-7-5-6-12-21-16)15(20(26)27-4)10-8-14-9-11-17(28-14)23(2)3/h5-12H,1-4H3/b10-8+,18-15-