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

Systemtic Name: ethyl 4-[[4-azanyl-3-cyano-5-(phenylcarbonyl)thiophen-2-yl]amino]benzoate Openeye Name: ethyl 4-[(4-amino-5-benzoyl-3-cyano-2-thienyl)amino]benzoate CAS Name: 4-[(4-amino-5-benzoyl-3-cyano-2-thiophenyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-amino-5-benzoyl-3-cyanothiophen-2-yl)amino]benzoate Traditional Name: 4-[(4-amino-5-benzoyl-3-cyano-2-thienyl)amino]benzoic acid ethyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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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=CC=CC=C3)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S/c1-2-27-21(26)14-8-10-15(11-9-14)24-20-16(12-22)17(23)19(28-20)18(25)13-6-4-3-5-7-13/h3-11,24H,2,23H2,1H3