methyl 4-[5-chloranyl-2-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[5-chloranyl-2-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[5-chloro-2-(2-methoxy-2-oxo-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[5-chloro-2-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[5-chloro-2-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[5-chloro-2-(2-keto-2-methoxy-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H17ClN2O5S MolecularWeight: 384.83458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)Cl)OCC(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)Cl)OCC(=O)OC)C(=O)OC

InChI

InChI=1S/C16H17ClN2O5S/c1-8-13(15(21)23-3)14(19-16(25)18-8)10-6-9(17)4-5-11(10)24-7-12(20)22-2/h4-6,14H,7H2,1-3H3,(H2,18,19,25)