N-[4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide

Systemtic Name: N-[4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide Openeye Name: N-[4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-2-oxo-chromen-7-yl]acetamide CAS Name: N-[4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-2-oxo-1-benzopyran-7-yl]acetamide IUPAC Name: N-[4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-2-oxochromen-7-yl]acetamide Traditional Name: N-[2-keto-4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]chromen-7-yl]acetamide Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H14N2O4S/c1-11(20)18-13-5-6-14-12(8-17(21)23-15(14)9-13)10-24-16-4-2-3-7-19(16)22/h2-9H,10H2,1H3,(H,18,20)