ethyl 2-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=NN(C3=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=NN(C3=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C23H25N3O3S/c1-4-29-23(28)20-17-7-5-6-8-19(17)30-21(20)24-13-18-15(3)25-26(22(18)27)16-11-9-14(2)10-12-16/h9-13,24H,4-8H2,1-3H3