4-[[1-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoic acid

Systemtic Name: 4-[[1-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoic acid Openeye Name: 4-[[1-(3-cyano-4,5-dimethyl-2-thienyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoic acid CAS Name: 4-[[1-(3-cyano-4,5-dimethyl-2-thiophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]benzoic acid IUPAC Name: 4-[[1-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoic acid Traditional Name: 4-[[1-(3-cyano-4,5-dimethyl-2-thienyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoic acid Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C#N)C)C=NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C#N)C)C=NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19N3O2S/c1-12-9-17(11-23-18-7-5-16(6-8-18)21(25)26)14(3)24(12)20-19(10-22)13(2)15(4)27-20/h5-9,11H,1-4H3,(H,25,26)