2-[2,5-dimethyl-3-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[2,5-dimethyl-3-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[3-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)O)C)C=C4C(=NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)O)C)C=C4C(=NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C26H25N3O3S/c1-15-13-18(14-21-16(2)27-29(24(21)30)19-9-5-4-6-10-19)17(3)28(15)25-23(26(31)32)20-11-7-8-12-22(20)33-25/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,31,32)