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

Systemtic Name: propan-2-yl 3-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-3-phenyl-propanoate CAS Name: 3-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate Traditional Name: 3-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3S/c1-11(2)25-15(23)9-14(12-7-5-4-6-8-12)21-17(24)16-13(19)10-20-18(22-16)26-3/h4-8,10-11,14H,9H2,1-3H3,(H,21,24)