methyl (3S)-2,2-dimethyl-3-[[(R)-(4-methylphenyl)sulfinyl]amino]-3-pyridin-3-yl-propanoate

Systemtic Name: methyl (3S)-2,2-dimethyl-3-[[(R)-(4-methylphenyl)sulfinyl]amino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (3S)-2,2-dimethyl-3-[[(R)-p-tolylsulfinyl]amino]-3-(3-pyridyl)propanoate CAS Name: (3S)-2,2-dimethyl-3-[[(R)-(4-methylphenyl)sulfinyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (3S)-2,2-dimethyl-3-[[(R)-(4-methylphenyl)sulfinyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (3S)-2,2-dimethyl-3-[[(R)-p-tolylsulfinyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)NC(C2=CN=CC=C2)C(C)(C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)[S@@](=O)N[C@@H](C2=CN=CC=C2)C(C)(C)C(=O)OC

InChI

InChI=1S/C18H22N2O3S/c1-13-7-9-15(10-8-13)24(22)20-16(14-6-5-11-19-12-14)18(2,3)17(21)23-4/h5-12,16,20H,1-4H3/t16-,24+/m0/s1