carboxy-[1-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]propan-2-yl]azanium

Systemtic Name: carboxy-[1-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]propan-2-yl]azanium Openeye Name: carboxy-[2-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]-1-methyl-ethyl]ammonium CAS Name: carboxy-[1-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]propan-2-yl]ammonium IUPAC Name: carboxy-[1-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]propan-2-yl]azanium Traditional Name: carboxy-[2-[(2-keto-7-methoxy-chromen-4-yl)methylthio]-1-methyl-ethyl]ammonium Formula: C15H18NO5S+ MolecularWeight: 324.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC(=O)OC2=C1C=CC(=C2)OC)[NH2+]C(=O)O

Isomeric SMILES

CC(CSCC1=CC(=O)OC2=C1C=CC(=C2)OC)[NH2+]C(=O)O

InChI

InChI=1S/C15H17NO5S/c1-9(16-15(18)19)7-22-8-10-5-14(17)21-13-6-11(20-2)3-4-12(10)13/h3-6,9,16H,7-8H2,1-2H3,(H,18,19)/p+1