2-methylsulfanylethanamine; (E)-3-phenylprop-2-enoate

Systemtic Name: 2-methylsulfanylethanamine; (E)-3-phenylprop-2-enoate Openeye Name: 2-methylsulfanylethanamine; (E)-3-phenylprop-2-enoate CAS Name: 2-(methylthio)ethanamine; (E)-3-phenyl-2-propenoate IUPAC Name: 2-methylsulfanylethanamine; (E)-3-phenylprop-2-enoate Traditional Name: 2-(methylthio)ethylamine; (E)-3-phenylacrylate Formula: C12H16NO2S- MolecularWeight: 238.32594

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN.C1=CC=C(C=C1)C=CC(=O)[O-]

Isomeric SMILES

CSCCN.C1=CC=C(C=C1)/C=C/C(=O)[O-]

InChI

InChI=1S/C9H8O2.C3H9NS/c10-9(11)7-6-8-4-2-1-3-5-8;1-5-3-2-4/h1-7H,(H,10,11);2-4H2,1H3/p-1/b7-6+;