ethanoic acid; ethyl 4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethanoic acid; ethyl 4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: acetic acid; ethyl 4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: acetic acid; 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: acetic acid; ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: acetic acid; 4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)O)OC)C.CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)O)OC)C.CC(=O)O

InChI

InChI=1S/C15H18N2O4S.C2H4O2/c1-4-21-14(19)12-8(2)16-15(22)17-13(12)9-5-6-10(18)11(7-9)20-3;1-2(3)4/h5-7,13,18H,4H2,1-3H3,(H2,16,17,22);1H3,(H,3,4)