ethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-(3-ethoxy-4-hydroxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)OCC)O

InChI

InChI=1S/C16H20N2O4S/c1-4-21-12-8-10(6-7-11(12)19)14-13(15(20)22-5-2)9(3)17-16(23)18-14/h6-8,13-14,19H,3-5H2,1-2H3,(H2,17,18,23)