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

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=CC=C3C

InChI

InChI=1S/C22H21NO6S/c1-3-27-22(26)23-16-8-9-17-15(10-20(24)29-18(17)11-16)12-28-21(25)13-30-19-7-5-4-6-14(19)2/h4-11H,3,12-13H2,1-2H3,(H,23,26)