methyl 2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-4-(4-propylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-4-(4-propylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(2-oxochromene-3-carbonyl)amino]-4-(4-propylphenyl)thiophene-3-carboxylate CAS Name: 2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-4-(4-propylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-oxochromene-3-carbonyl)amino]-4-(4-propylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(2-ketochromene-3-carbonyl)amino]-4-(4-propylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C25H21NO5S/c1-3-6-15-9-11-16(12-10-15)19-14-32-23(21(19)25(29)30-2)26-22(27)18-13-17-7-4-5-8-20(17)31-24(18)28/h4-5,7-14H,3,6H2,1-2H3,(H,26,27)