8-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-(phenylmethyl)amino]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 8-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-(phenylmethyl)amino]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 8-[[benzyl-(1,1-dioxothiolan-3-yl)amino]methyl]-6-ethyl-7-hydroxy-4-methyl-chromen-2-one CAS Name: 8-[[(1,1-dioxo-3-thiolanyl)-(phenylmethyl)amino]methyl]-6-ethyl-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 8-[[benzyl-(1,1-dioxothiolan-3-yl)amino]methyl]-6-ethyl-7-hydroxy-4-methylchromen-2-one Traditional Name: 8-[[benzyl-(1,1-diketothiolan-3-yl)amino]methyl]-6-ethyl-7-hydroxy-4-methyl-coumarin Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN(CC3=CC=CC=C3)C4CCS(=O)(=O)C4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN(CC3=CC=CC=C3)C4CCS(=O)(=O)C4)O

InChI

InChI=1S/C24H27NO5S/c1-3-18-12-20-16(2)11-22(26)30-24(20)21(23(18)27)14-25(13-17-7-5-4-6-8-17)19-9-10-31(28,29)15-19/h4-8,11-12,19,27H,3,9-10,13-15H2,1-2H3