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

Systemtic Name: 2-[2,5-dimethyl-3-[(phenylcarbonylhydrazinylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[3-[(benzoylhydrazono)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[3-[(benzoylhydrazinylidene)methyl]-2,5-dimethyl-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[3-[(benzoylhydrazinylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[3-[(benzoylhydrazono)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)O)C)C=NNC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)O)C)C=NNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-14-12-17(13-24-25-21(27)16-8-4-3-5-9-16)15(2)26(14)22-20(23(28)29)18-10-6-7-11-19(18)30-22/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,25,27)(H,28,29)