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

Systemtic Name: methyl (3S)-3-[[(R)-(4-methylphenyl)sulfinyl]amino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (3S)-3-[[(R)-p-tolylsulfinyl]amino]-3-(3-pyridyl)propanoate CAS Name: (3S)-3-[[(R)-(4-methylphenyl)sulfinyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[(R)-(4-methylphenyl)sulfinyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (3S)-3-[[(R)-p-tolylsulfinyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-12-5-7-14(8-6-12)22(20)18-15(10-16(19)21-2)13-4-3-9-17-11-13/h3-9,11,15,18H,10H2,1-2H3/t15-,22+/m0/s1