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

Systemtic Name: ethyl N-[4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]carbamate Openeye Name: ethyl N-[4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-2-oxo-chromen-7-yl]carbamate CAS Name: N-[4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-2-oxo-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-2-oxochromen-7-yl]carbamate Traditional Name: N-[2-keto-4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]chromen-7-yl]carbamic acid ethyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5S/c1-2-24-18(22)19-13-6-7-14-12(9-17(21)25-15(14)10-13)11-26-16-5-3-4-8-20(16)23/h3-10H,2,11H2,1H3,(H,19,22)