(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C21H19NO6S/c1-22(2)19(24)12-29-18-6-4-3-5-16(18)21(26)27-11-13-9-20(25)28-17-10-14(23)7-8-15(13)17/h3-10,23H,11-12H2,1-2H3