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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 2-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[cyclohexyl(methyl)amino]-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-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[cyclohexyl(methyl)amino]-2-keto-ethyl]thio]acetic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CSCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CN(C1CCCCC1)C(=O)CSCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C21H25NO6S/c1-22(15-5-3-2-4-6-15)19(24)12-29-13-21(26)27-11-14-9-20(25)28-18-10-16(23)7-8-17(14)18/h7-10,15,23H,2-6,11-13H2,1H3