(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]acetic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C21H19NO6S/c1-13-3-2-4-15(7-13)22-19(24)11-29-12-21(26)27-10-14-8-20(25)28-18-9-16(23)5-6-17(14)18/h2-9,23H,10-12H2,1H3,(H,22,24)