ethyl (E)-3-[4-[(2-benzamido-4-methylsulfanyl-butanoyl)amino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[(2-benzamido-4-methylsulfanyl-butanoyl)amino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(2-benzamido-4-methylsulfanyl-butanoyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-benzamido-4-(methylthio)-1-oxobutyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(2-benzamido-4-methylsulfanylbutanoyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-benzamido-4-(methylthio)butanoyl]amino]phenyl]acrylic acid ethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-3-29-21(26)14-11-17-9-12-19(13-10-17)24-23(28)20(15-16-30-2)25-22(27)18-7-5-4-6-8-18/h4-14,20H,3,15-16H2,1-2H3,(H,24,28)(H,25,27)/b14-11+