[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H15BrN2O5S MolecularWeight: 439.2804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC2=C(C=CS2)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC2=C(C=CS2)C#N)OC

InChI

InChI=1S/C17H15BrN2O5S/c1-3-24-15-12(18)6-11(7-13(15)23-2)17(22)25-9-14(21)20-16-10(8-19)4-5-26-16/h4-7H,3,9H2,1-2H3,(H,20,21)