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

Systemtic Name: 4-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[(1,1-dioxothiolan-3-yl)-(2-thienylmethyl)amino]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[(1,1-dioxo-3-thiolanyl)-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[(1,1-diketothiolan-3-yl)-(2-thenyl)amino]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(CC3=CC=CS3)C4CCS(=O)(=O)C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(CC3=CC=CS3)C4CCS(=O)(=O)C4)O

InChI

InChI=1S/C21H23NO5S2/c1-2-14-8-18-15(9-21(24)27-20(18)10-19(14)23)11-22(12-17-4-3-6-28-17)16-5-7-29(25,26)13-16/h3-4,6,8-10,16,23H,2,5,7,11-13H2,1H3