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

Systemtic Name: 2-[3-[[(3,4-dichlorophenyl)carbonylhydrazinylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[3-[[(3,4-dichlorobenzoyl)hydrazono]methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[3-[[[(3,4-dichlorophenyl)-oxomethyl]hydrazinylidene]methyl]-2,5-dimethyl-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[3-[[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[3-[[(3,4-dichlorobenzoyl)hydrazono]methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C23H21Cl2N3O3S MolecularWeight: 490.40214

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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(=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H21Cl2N3O3S/c1-12-9-15(11-26-27-21(29)14-7-8-17(24)18(25)10-14)13(2)28(12)22-20(23(30)31)16-5-3-4-6-19(16)32-22/h7-11H,3-6H2,1-2H3,(H,27,29)(H,30,31)