(E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-N-(3-phenylsulfanylpropyl)prop-2-enamide

Systemtic Name: (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-N-(3-phenylsulfanylpropyl)prop-2-enamide Openeye Name: (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]-N-(3-phenylsulfanylpropyl)prop-2-enamide CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[3-(phenylthio)propyl]-2-propenamide IUPAC Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-(3-phenylsulfanylpropyl)prop-2-enamide Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]-N-[3-(phenylthio)propyl]acrylamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NCCCSC2=CC=CC=C2)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NCCCSC2=CC=CC=C2)OCC(=O)N

InChI

InChI=1S/C21H24N2O4S/c1-26-19-14-16(8-10-18(19)27-15-20(22)24)9-11-21(25)23-12-5-13-28-17-6-3-2-4-7-17/h2-4,6-11,14H,5,12-13,15H2,1H3,(H2,22,24)(H,23,25)/b11-9+