6-ethyl-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]coumarin Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=CC=CC=[N+]3[O-])O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=CC=CC=[N+]3[O-])O

InChI

InChI=1S/C17H15NO4S/c1-2-11-7-13-12(8-17(20)22-15(13)9-14(11)19)10-23-16-5-3-4-6-18(16)21/h3-9,19H,2,10H2,1H3