[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C=CC1=CC=C(C=C1)SC

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)/C=C/C1=CC=C(C=C1)SC

InChI

InChI=1S/C17H23NO3S/c1-4-14(5-2)18-16(19)12-21-17(20)11-8-13-6-9-15(22-3)10-7-13/h6-11,14H,4-5,12H2,1-3H3,(H,18,19)/b11-8+