[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C27H21N3O6S MolecularWeight: 515.53714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O6S/c1-2-34-27(33)28-18-10-11-20-17(13-24(31)36-22(20)14-18)16-35-26(32)21-15-30(19-7-4-3-5-8-19)29-25(21)23-9-6-12-37-23/h3-15H,2,16H2,1H3,(H,28,33)