methyl (2S)-2-[2-cyclopropylideneethyl-(4-methylphenyl)sulfonyl-amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[2-cyclopropylideneethyl-(4-methylphenyl)sulfonyl-amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[2-cyclopropylideneethyl(p-tolylsulfonyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[2-cyclopropylideneethyl-(4-methylphenyl)sulfonylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-cyclopropylideneethyl-(4-methylphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[2-cyclopropylideneethyl(tosyl)amino]-3-methyl-butyric acid methyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C2CC2)C(C(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C2CC2)[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C18H25NO4S/c1-13(2)17(18(20)23-4)19(12-11-15-7-8-15)24(21,22)16-9-5-14(3)6-10-16/h5-6,9-11,13,17H,7-8,12H2,1-4H3/t17-/m0/s1