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

Systemtic Name: 4-[[1-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoate Openeye Name: 4-[[1-(3-cyano-4,5-dimethyl-2-thienyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoate CAS Name: 4-[[1-(3-cyano-4,5-dimethyl-2-thiophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]benzoate IUPAC Name: 4-[[1-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoate Traditional Name: 4-[[1-(3-cyano-4,5-dimethyl-2-thienyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoate Formula: C21H18N3O2S- MolecularWeight: 376.45152

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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)/p-1