methyl (E)-3-(2-azanyl-5-methylsulfanyl-phenyl)prop-2-enoate

Systemtic Name: methyl (E)-3-(2-azanyl-5-methylsulfanyl-phenyl)prop-2-enoate Openeye Name: methyl (E)-3-(2-amino-5-methylsulfanyl-phenyl)prop-2-enoate CAS Name: (E)-3-[2-amino-5-(methylthio)phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(2-amino-5-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[2-amino-5-(methylthio)phenyl]acrylic acid methyl ester Formula: C11H13NO2S MolecularWeight: 223.29142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C=CC(=C1)SC)N

Isomeric SMILES

COC(=O)/C=C/C1=C(C=CC(=C1)SC)N

InChI

InChI=1S/C11H13NO2S/c1-14-11(13)6-3-8-7-9(15-2)4-5-10(8)12/h3-7H,12H2,1-2H3/b6-3+