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

Systemtic Name: ethyl 4-[[4-azanyl-5-(4-bromophenyl)carbonyl-3-cyano-thiophen-2-yl]methyl]benzoate Openeye Name: ethyl 4-[[4-amino-5-(4-bromobenzoyl)-3-cyano-2-thienyl]methyl]benzoate CAS Name: 4-[[4-amino-5-[(4-bromophenyl)-oxomethyl]-3-cyano-2-thiophenyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-5-(4-bromobenzoyl)-3-cyanothiophen-2-yl]methyl]benzoate Traditional Name: 4-[[4-amino-5-(4-bromobenzoyl)-3-cyano-2-thienyl]methyl]benzoic acid ethyl ester Formula: C22H17BrN2O3S MolecularWeight: 469.35098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Br)N)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Br)N)C#N

InChI

InChI=1S/C22H17BrN2O3S/c1-2-28-22(27)15-5-3-13(4-6-15)11-18-17(12-24)19(25)21(29-18)20(26)14-7-9-16(23)10-8-14/h3-10H,2,11,25H2,1H3