[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H23NO3S MolecularWeight: 333.44512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C18H23NO3S/c1-23-16-9-6-15(7-10-16)8-11-18(21)22-14-17(20)19-12-4-2-3-5-13-19/h6-11H,2-5,12-14H2,1H3/b11-8+