[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C14H10BrN3O3S MolecularWeight: 380.2165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)OCC(=O)NC2=C(C=CS2)C#N)N

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)OCC(=O)NC2=C(C=CS2)C#N)N

InChI

InChI=1S/C14H10BrN3O3S/c15-9-1-2-11(17)10(5-9)14(20)21-7-12(19)18-13-8(6-16)3-4-22-13/h1-5H,7,17H2,(H,18,19)