3-[3-[2-cyano-4-(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)-3-oxidanylidene-but-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[3-[2-cyano-4-(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)-3-oxidanylidene-but-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[3-[2-cyano-4-(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)-3-oxo-but-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[3-[2-cyano-4-(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)-3-oxobut-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[3-[2-cyano-4-(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)-3-oxobut-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 3-[3-[4-(5-carbethoxy-3-cyano-4-methyl-2-thienyl)-2-cyano-3-keto-but-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C27H23N3O5S MolecularWeight: 501.55362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=CC(=C3)C(=O)O)C)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=CC(=C3)C(=O)O)C)C#N)C#N)C

InChI

InChI=1S/C27H23N3O5S/c1-5-35-27(34)25-16(3)22(14-29)24(36-25)12-23(31)20(13-28)10-19-9-15(2)30(17(19)4)21-8-6-7-18(11-21)26(32)33/h6-11H,5,12H2,1-4H3,(H,32,33)