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

Systemtic Name: 7-methyl-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]coumarin Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC=CC=[N+]3[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC=CC=[N+]3[O-])C(C)C

InChI

InChI=1S/C19H19NO3S/c1-12(2)15-10-16-14(9-19(21)23-17(16)8-13(15)3)11-24-18-6-4-5-7-20(18)22/h4-10,12H,11H2,1-3H3