[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C15H11BrN2O4S MolecularWeight: 395.22784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N)Br

InChI

InChI=1S/C15H11BrN2O4S/c1-21-12-3-2-9(6-11(12)16)15(20)22-8-13(19)18-14-10(7-17)4-5-23-14/h2-6H,8H2,1H3,(H,18,19)