ethyl (5Z)-5-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-2-[(2-methylphenyl)carbonylamino]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl (5Z)-5-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-2-[(2-methylphenyl)carbonylamino]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5Z)-5-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylene]-2-[(2-methylbenzoyl)amino]-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-5-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-[[(2-methylphenyl)-oxomethyl]amino]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-5-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-[(2-methylbenzoyl)amino]-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-5-(4-allyloxy-3-bromo-5-methoxy-benzylidene)-4-keto-2-(o-toluoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C26H24BrNO6S MolecularWeight: 558.44086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=CC(=C(C(=C2)Br)OCC=C)OC)C1=O)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C\C2=CC(=C(C(=C2)Br)OCC=C)OC)/C1=O)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C26H24BrNO6S/c1-5-11-34-23-18(27)12-16(13-19(23)32-4)14-20-22(29)21(26(31)33-6-2)25(35-20)28-24(30)17-10-8-7-9-15(17)3/h5,7-10,12-14H,1,6,11H2,2-4H3,(H,28,30)/b20-14-