S-(2-acetamidoethyl) (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enethioate

Systemtic Name: S-(2-acetamidoethyl) (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enethioate Openeye Name: S-(2-acetamidoethyl) (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enethioate CAS Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenethioic acid S-(2-acetamidoethyl) ester IUPAC Name: S-(2-acetamidoethyl) (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enethioate Traditional Name: (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enethioic acid S-(2-acetamidoethyl) ester Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC

Isomeric SMILES

CC(=O)NCCSC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC

InChI

InChI=1S/C15H19NO5S/c1-10(17)16-6-7-22-14(18)5-4-11-8-12(20-2)15(19)13(9-11)21-3/h4-5,8-9,19H,6-7H2,1-3H3,(H,16,17)/b5-4+