(E)-3-[4-methoxy-3-(2-methylsulfanylethoxy)phenyl]-N-(2-oxidanylideneazepan-4-yl)prop-2-enamide

Systemtic Name: (E)-3-[4-methoxy-3-(2-methylsulfanylethoxy)phenyl]-N-(2-oxidanylideneazepan-4-yl)prop-2-enamide Openeye Name: (E)-3-[4-methoxy-3-(2-methylsulfanylethoxy)phenyl]-N-(2-oxoazepan-4-yl)prop-2-enamide CAS Name: (E)-3-[4-methoxy-3-[2-(methylthio)ethoxy]phenyl]-N-(2-oxo-4-azepanyl)-2-propenamide IUPAC Name: (E)-3-[4-methoxy-3-(2-methylsulfanylethoxy)phenyl]-N-(2-oxoazepan-4-yl)prop-2-enamide Traditional Name: (E)-N-(2-ketoazepan-4-yl)-3-[4-methoxy-3-[2-(methylthio)ethoxy]phenyl]acrylamide Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2CCCNC(=O)C2)OCCSC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2CCCNC(=O)C2)OCCSC

InChI

InChI=1S/C19H26N2O4S/c1-24-16-7-5-14(12-17(16)25-10-11-26-2)6-8-18(22)21-15-4-3-9-20-19(23)13-15/h5-8,12,15H,3-4,9-11,13H2,1-2H3,(H,20,23)(H,21,22)/b8-6+