2-azanyl-3-[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enyl]sulfanyl-N-(hydroxymethyl)propanamide

Systemtic Name: 2-azanyl-3-[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enyl]sulfanyl-N-(hydroxymethyl)propanamide Openeye Name: 2-amino-3-[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)allyl]sulfanyl-N-(hydroxymethyl)propanamide CAS Name: 2-amino-3-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]thio]-N-(hydroxymethyl)propanamide IUPAC Name: 2-amino-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]sulfanyl-N-(hydroxymethyl)propanamide Traditional Name: 2-amino-3-[[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)allyl]thio]-N-methylol-propionamide Formula: C15H22N2O5S MolecularWeight: 342.41058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C=CCSCC(C(=O)NCO)N

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)/C=C/CSCC(C(=O)NCO)N

InChI

InChI=1S/C15H22N2O5S/c1-21-12-6-10(7-13(22-2)14(12)19)4-3-5-23-8-11(16)15(20)17-9-18/h3-4,6-7,11,18-19H,5,8-9,16H2,1-2H3,(H,17,20)/b4-3+