2-(4-ethoxyphenyl)sulfanylethanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: 2-(4-ethoxyphenyl)sulfanylethanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: [2-(4-ethoxyphenyl)sulfanylacetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [2-[(4-ethoxyphenyl)thio]-1-oxoethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: [2-(4-ethoxyphenyl)sulfanylacetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[2-(p-phenetylthio)acetyl]ammonium Formula: C20H24NO4S+ MolecularWeight: 374.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)[NH+]=C2CCC3=C(C=C(OC3C2)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)[NH+]=C2CCC3=C(C=C(OC3C2)O)C

InChI

InChI=1S/C20H23NO4S/c1-3-24-15-5-7-16(8-6-15)26-12-19(22)21-14-4-9-17-13(2)10-20(23)25-18(17)11-14/h5-8,10,18,23H,3-4,9,11-12H2,1-2H3/p+1