propan-2-yl (3S)-3-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: propan-2-yl (3S)-3-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: isopropyl (3S)-3-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-3-(4-methoxyphenyl)propanoate CAS Name: (3S)-3-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (3S)-3-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-3-(4-methoxyphenyl)propionic acid isopropyl ester Formula: C19H22ClN3O4S MolecularWeight: 423.91368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC(C)OC(=O)C[C@@H](C1=CC=C(C=C1)OC)NC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C19H22ClN3O4S/c1-11(2)27-16(24)9-15(12-5-7-13(26-3)8-6-12)22-18(25)17-14(20)10-21-19(23-17)28-4/h5-8,10-11,15H,9H2,1-4H3,(H,22,25)/t15-/m0/s1