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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2,4-dimethylanilino)-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-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]acetic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6S/c1-13-3-6-18(14(2)7-13)23-20(25)11-30-12-22(27)28-10-15-8-21(26)29-19-9-16(24)4-5-17(15)19/h3-9,24H,10-12H2,1-2H3,(H,23,25)