[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C14H9BrN2O3S MolecularWeight: 365.20186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9BrN2O3S/c15-11-3-1-2-9(6-11)14(19)20-8-12(18)17-13-10(7-16)4-5-21-13/h1-6H,8H2,(H,17,18)