methyl 2-[(6-chloranyl-4-oxidanylidene-chromen-2-yl)carbonylamino]-5-[(E)-1-cyanoprop-1-en-2-yl]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(6-chloranyl-4-oxidanylidene-chromen-2-yl)carbonylamino]-5-[(E)-1-cyanoprop-1-en-2-yl]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(6-chloro-4-oxo-chromene-2-carbonyl)amino]-5-[(E)-2-cyano-1-methyl-vinyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(6-chloro-4-oxo-1-benzopyran-2-yl)-oxomethyl]amino]-5-[(E)-1-cyanoprop-1-en-2-yl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-chloro-4-oxochromene-2-carbonyl)amino]-5-[(E)-1-cyanoprop-1-en-2-yl]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(6-chloro-4-keto-chromene-2-carbonyl)amino]-5-[(E)-2-cyano-1-methyl-vinyl]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H15ClN2O5S MolecularWeight: 442.8722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)C(=CC#N)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)/C(=C/C#N)/C

InChI

InChI=1S/C21H15ClN2O5S/c1-10(6-7-23)18-11(2)17(21(27)28-3)20(30-18)24-19(26)16-9-14(25)13-8-12(22)4-5-15(13)29-16/h4-6,8-9H,1-3H3,(H,24,26)/b10-6+