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

Systemtic Name: ethyl 4-[[4-azanyl-3-cyano-5-(4-phenylphenyl)carbonyl-thiophen-2-yl]amino]benzoate Openeye Name: ethyl 4-[[4-amino-3-cyano-5-(4-phenylbenzoyl)-2-thienyl]amino]benzoate CAS Name: 4-[[4-amino-3-cyano-5-[oxo-(4-phenylphenyl)methyl]-2-thiophenyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-3-cyano-5-(4-phenylbenzoyl)thiophen-2-yl]amino]benzoate Traditional Name: 4-[[4-amino-3-cyano-5-(4-phenylbenzoyl)-2-thienyl]amino]benzoic acid ethyl ester Formula: C27H21N3O3S MolecularWeight: 467.53894

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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=C(C=C3)C4=CC=CC=C4)N)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)N)C#N

InChI

InChI=1S/C27H21N3O3S/c1-2-33-27(32)20-12-14-21(15-13-20)30-26-22(16-28)23(29)25(34-26)24(31)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15,30H,2,29H2,1H3