[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)methoxy]benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)methoxy]benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-[(3-bromophenyl)methoxy]benzoate CAS Name: 2-[(3-bromophenyl)methoxy]benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[(3-bromophenyl)methoxy]benzoate Traditional Name: 2-(3-bromobenzyl)oxybenzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H15BrN2O4S MolecularWeight: 471.3238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N)OCC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N)OCC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H15BrN2O4S/c22-16-5-3-4-14(10-16)12-27-18-7-2-1-6-17(18)21(26)28-13-19(25)24-20-15(11-23)8-9-29-20/h1-10H,12-13H2,(H,24,25)