[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC=C(C=C3)C

InChI

InChI=1S/C23H23NO6S/c1-3-28-23(27)24-17-6-9-19-16(12-22(26)30-20(19)13-17)14-29-21(25)10-11-31-18-7-4-15(2)5-8-18/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,24,27)