5-chloranyl-2-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]sulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]thio]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]thio]pyrimidine-4-carboxylate Formula: C15H13ClN3O4S- MolecularWeight: 366.79942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=C(C(=N2)C(=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=C(C(=N2)C(=O)[O-])Cl

InChI

InChI=1S/C15H14ClN3O4S/c1-8-3-4-11(23-2)10(5-8)18-12(20)7-24-15-17-6-9(16)13(19-15)14(21)22/h3-6H,7H2,1-2H3,(H,18,20)(H,21,22)/p-1