[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-[[(1R)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-[[(1R)-1,2-dimethylpropyl]amino]-2-keto-ethyl] ester Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NC(C)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)N[C@H](C)C(C)C)C

InChI

InChI=1S/C17H25NO3S/c1-11(2)14(5)18-16(19)9-21-17(20)10-22-15-7-6-12(3)13(4)8-15/h6-8,11,14H,9-10H2,1-5H3,(H,18,19)/t14-/m1/s1