ethyl 4-[[4-azanyl-3-cyano-5-(2,4-dimethylphenyl)carbonyl-thiophen-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[4-azanyl-3-cyano-5-(2,4-dimethylphenyl)carbonyl-thiophen-2-yl]amino]benzoate Openeye Name: ethyl 4-[[4-amino-3-cyano-5-(2,4-dimethylbenzoyl)-2-thienyl]amino]benzoate CAS Name: 4-[[4-amino-3-cyano-5-[(2,4-dimethylphenyl)-oxomethyl]-2-thiophenyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-3-cyano-5-(2,4-dimethylbenzoyl)thiophen-2-yl]amino]benzoate Traditional Name: 4-[[4-amino-3-cyano-5-(2,4-dimethylbenzoyl)-2-thienyl]amino]benzoic acid ethyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=C(C=C(C=C3)C)C)N)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=C(C=C(C=C3)C)C)N)C#N

InChI

InChI=1S/C23H21N3O3S/c1-4-29-23(28)15-6-8-16(9-7-15)26-22-18(12-24)19(25)21(30-22)20(27)17-10-5-13(2)11-14(17)3/h5-11,26H,4,25H2,1-3H3