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

Systemtic Name: 8-methyl-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]coumarin Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=CC=CC=[N+]3[O-])O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=CC=CC=[N+]3[O-])O

InChI

InChI=1S/C16H13NO4S/c1-10-13(18)6-5-12-11(8-15(19)21-16(10)12)9-22-14-4-2-3-7-17(14)20/h2-8,18H,9H2,1H3