methyl 3-[[(E)-(5-oxidanylidene-3-phenyl-1H-pyrazol-4-ylidene)methyl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[(E)-(5-oxidanylidene-3-phenyl-1H-pyrazol-4-ylidene)methyl]amino]thiophene-2-carboxylate Openeye Name: methyl 3-[[(E)-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)methyl]amino]thiophene-2-carboxylate CAS Name: 3-[[(E)-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(E)-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)methyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[(E)-(3-keto-5-phenyl-2-pyrazolin-4-ylidene)methyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC=C2C(=NNC2=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)N/C=C/2\C(=NNC2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O3S/c1-22-16(21)14-12(7-8-23-14)17-9-11-13(18-19-15(11)20)10-5-3-2-4-6-10/h2-9,17H,1H3,(H,19,20)/b11-9+