[2-(cycloheptylamino)-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)OCC(=O)NC2CCCCCC2

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2CCCCCC2

InChI

InChI=1S/C19H25NO3S/c1-24-17-11-8-15(9-12-17)10-13-19(22)23-14-18(21)20-16-6-4-2-3-5-7-16/h8-13,16H,2-7,14H2,1H3,(H,20,21)/b13-10+