ethyl (E)-3-[4-(4-phenylsulfanylbutanoylamino)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-(4-phenylsulfanylbutanoylamino)phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-(4-phenylsulfanylbutanoylamino)phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[1-oxo-4-(phenylthio)butyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(4-phenylsulfanylbutanoylamino)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[4-(phenylthio)butanoylamino]phenyl]acrylic acid ethyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CCCSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CCCSC2=CC=CC=C2

InChI

InChI=1S/C21H23NO3S/c1-2-25-21(24)15-12-17-10-13-18(14-11-17)22-20(23)9-6-16-26-19-7-4-3-5-8-19/h3-5,7-8,10-15H,2,6,9,16H2,1H3,(H,22,23)/b15-12+