ethoxycarbonyl-[4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium

Systemtic Name: ethoxycarbonyl-[4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Openeye Name: ethoxycarbonyl-[2-hydroxy-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium CAS Name: ethoxycarbonyl-[2-hydroxy-4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene]ammonium IUPAC Name: ethoxycarbonyl-[2-hydroxy-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Traditional Name: carbethoxy-[2-hydroxy-4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium Formula: C18H21N2O5S+ MolecularWeight: 377.43474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCOC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H20N2O5S/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/h3-5,8-9,15,21H,2,6-7,10-11H2,1H3/p+1