4-nitrooxybutyl 2-acetamido-3-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]sulfanyl-propanoate

Systemtic Name: 4-nitrooxybutyl 2-acetamido-3-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]sulfanyl-propanoate Openeye Name: 4-nitrooxybutyl 2-acetamido-3-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]sulfanyl-propanoate CAS Name: 2-acetamido-3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]thio]propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-acetamido-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanylpropanoate Traditional Name: 2-acetamido-3-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]thio]propionic acid 4-nitrooxybutyl ester Formula: C19H24N2O9S MolecularWeight: 456.46686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)C=CC1=CC(=C(C=C1)O)OC)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(CSC(=O)/C=C/C1=CC(=C(C=C1)O)OC)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O9S/c1-13(22)20-15(19(25)29-9-3-4-10-30-21(26)27)12-31-18(24)8-6-14-5-7-16(23)17(11-14)28-2/h5-8,11,15,23H,3-4,9-10,12H2,1-2H3,(H,20,22)/b8-6+