[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)COC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H](C1CC1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C17H21NO3S/c1-12(14-6-7-14)18-16(19)11-21-17(20)10-5-13-3-8-15(22-2)9-4-13/h3-5,8-10,12,14H,6-7,11H2,1-2H3,(H,18,19)/b10-5+/t12-/m1/s1