methyl 3-(4-methoxy-2-oxidanyl-5-thiocyanato-phenyl)propanoate

Systemtic Name: methyl 3-(4-methoxy-2-oxidanyl-5-thiocyanato-phenyl)propanoate Openeye Name: methyl 3-(2-hydroxy-4-methoxy-5-thiocyanato-phenyl)propanoate CAS Name: 3-(2-hydroxy-4-methoxy-5-thiocyanatophenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-hydroxy-4-methoxy-5-thiocyanatophenyl)propanoate Traditional Name: 3-(2-hydroxy-4-methoxy-5-thiocyanato-phenyl)propionic acid methyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)CCC(=O)OC)SC#N

Isomeric SMILES

COC1=C(C=C(C(=C1)O)CCC(=O)OC)SC#N

InChI

InChI=1S/C12H13NO4S/c1-16-10-6-9(14)8(3-4-12(15)17-2)5-11(10)18-7-13/h5-6,14H,3-4H2,1-2H3