methyl (Z)-3-methoxy-2-[3-methyl-2-[(3-methyl-5-nitro-phenyl)methylsulfanyl]phenyl]prop-2-enoate

Systemtic Name: methyl (Z)-3-methoxy-2-[3-methyl-2-[(3-methyl-5-nitro-phenyl)methylsulfanyl]phenyl]prop-2-enoate Openeye Name: methyl (Z)-3-methoxy-2-[3-methyl-2-[(3-methyl-5-nitro-phenyl)methylsulfanyl]phenyl]prop-2-enoate CAS Name: (Z)-3-methoxy-2-[3-methyl-2-[(3-methyl-5-nitrophenyl)methylthio]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-methoxy-2-[3-methyl-2-[(3-methyl-5-nitrophenyl)methylsulfanyl]phenyl]prop-2-enoate Traditional Name: (Z)-3-methoxy-2-[3-methyl-2-[(3-methyl-5-nitro-benzyl)thio]phenyl]acrylic acid methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1SCC2=CC(=CC(=C2)C)[N+](=O)[O-])C(=COC)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1SCC2=CC(=CC(=C2)C)[N+](=O)[O-])/C(=C/OC)/C(=O)OC

InChI

InChI=1S/C20H21NO5S/c1-13-8-15(10-16(9-13)21(23)24)12-27-19-14(2)6-5-7-17(19)18(11-25-3)20(22)26-4/h5-11H,12H2,1-4H3/b18-11-