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

Systemtic Name: 6,7-dimethyl-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]coumarin Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C17H15NO3S/c1-11-7-14-13(9-17(19)21-15(14)8-12(11)2)10-22-16-5-3-4-6-18(16)20/h3-9H,10H2,1-2H3