2-[[2-methoxy-5-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[2-methoxy-5-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[2-methoxy-5-[(E)-3-(3-nitrophenyl)acryloyl]benzyl]thio]acetic acid Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])CSCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])CSCC(=O)O

InChI

InChI=1S/C19H17NO6S/c1-26-18-8-6-14(10-15(18)11-27-12-19(22)23)17(21)7-5-13-3-2-4-16(9-13)20(24)25/h2-10H,11-12H2,1H3,(H,22,23)/b7-5+