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

Systemtic Name: 2-[3-(2-cyano-2-phenyl-ethenyl)-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[3-(2-cyano-2-phenyl-vinyl)-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[3-(2-cyano-2-phenylethenyl)-2,5-dimethyl-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[3-(2-cyano-2-phenylethenyl)-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[3-(2-cyano-2-phenyl-vinyl)-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O2S/c1-15-12-18(13-19(14-25)17-8-4-3-5-9-17)16(2)26(15)23-22(24(27)28)20-10-6-7-11-21(20)29-23/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,27,28)