2-[3-(methoxycarbonylamino)-1,6-dimethyl-2-oxidanylidene-4-phenylsulfanyl-pyridin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[3-(methoxycarbonylamino)-1,6-dimethyl-2-oxidanylidene-4-phenylsulfanyl-pyridin-1-ium-1-yl]ethanoate Openeye Name: 2-[3-(methoxycarbonylamino)-1,6-dimethyl-2-oxo-4-phenylsulfanyl-pyridin-1-ium-1-yl]acetate CAS Name: 2-[3-(methoxycarbonylamino)-1,6-dimethyl-2-oxo-4-(phenylthio)-1-pyridin-1-iumyl]acetate IUPAC Name: 2-[3-(methoxycarbonylamino)-1,6-dimethyl-2-oxo-4-phenylsulfanylpyridin-1-ium-1-yl]acetate Traditional Name: 2-[3-(carbomethoxyamino)-2-keto-1,6-dimethyl-4-(phenylthio)pyridin-1-ium-1-yl]acetate Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)[O-])NC(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)[O-])NC(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O5S/c1-11-9-13(25-12-7-5-4-6-8-12)15(18-17(23)24-3)16(22)19(11,2)10-14(20)21/h4-9H,10H2,1-3H3,(H-,18,20,21,23)