(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C23H23NO6S MolecularWeight: 441.49682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=CC=CC=C3SCC(=O)NC(C)C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=CC=CC=C3SCC(=O)NC(C)C)O

InChI

InChI=1S/C23H23NO6S/c1-13(2)24-20(26)12-31-19-7-5-4-6-17(19)23(28)29-11-15-10-21(27)30-22-14(3)18(25)9-8-16(15)22/h4-10,13,25H,11-12H2,1-3H3,(H,24,26)