2-[2-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonio]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonio]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonio]-2-keto-ethyl]thio]acetate Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)CSCC(=O)[O-])CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)CSCC(=O)[O-])CC2OC(=C1)O

InChI

InChI=1S/C14H17NO5S/c1-8-4-14(19)20-11-5-9(2-3-10(8)11)15-12(16)6-21-7-13(17)18/h4,11,19H,2-3,5-7H2,1H3,(H,17,18)