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

Systemtic Name: ethyl 4-[[4-azanyl-5-(4-bromophenyl)carbonyl-3-cyano-thiophen-2-yl]amino]benzoate Openeye Name: ethyl 4-[[4-amino-5-(4-bromobenzoyl)-3-cyano-2-thienyl]amino]benzoate CAS Name: 4-[[4-amino-5-[(4-bromophenyl)-oxomethyl]-3-cyano-2-thiophenyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-5-(4-bromobenzoyl)-3-cyanothiophen-2-yl]amino]benzoate Traditional Name: 4-[[4-amino-5-(4-bromobenzoyl)-3-cyano-2-thienyl]amino]benzoic acid ethyl ester Formula: C21H16BrN3O3S MolecularWeight: 470.33904

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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)Br)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O3S/c1-2-28-21(27)13-5-9-15(10-6-13)25-20-16(11-23)17(24)19(29-20)18(26)12-3-7-14(22)8-4-12/h3-10,25H,2,24H2,1H3