(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C

InChI

InChI=1S/C21H19NO5S/c1-13-5-3-4-6-19(13)28-12-21(25)26-11-15-9-20(24)27-18-10-16(22-14(2)23)7-8-17(15)18/h3-10H,11-12H2,1-2H3,(H,22,23)