methyl 2-[(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonyl-methyl-amino]benzoate

Systemtic Name: methyl 2-[(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonyl-methyl-amino]benzoate Openeye Name: methyl 2-[(5-chloro-2-ethylsulfanyl-pyrimidine-4-carbonyl)-methyl-amino]benzoate CAS Name: 2-[[[5-chloro-2-(ethylthio)-4-pyrimidinyl]-oxomethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-ethylsulfanylpyrimidine-4-carbonyl)-methylamino]benzoate Traditional Name: 2-[[5-chloro-2-(ethylthio)pyrimidine-4-carbonyl]-methyl-amino]benzoic acid methyl ester Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)N(C)C2=CC=CC=C2C(=O)OC)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)N(C)C2=CC=CC=C2C(=O)OC)Cl

InChI

InChI=1S/C16H16ClN3O3S/c1-4-24-16-18-9-11(17)13(19-16)14(21)20(2)12-8-6-5-7-10(12)15(22)23-3/h5-9H,4H2,1-3H3