ethyl 4-(2-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-(2-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-(2-ethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(2-ethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-methylene-6-o-phenetyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(C(=C)NC(=S)N2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C2C(C(=C)NC(=S)N2)C(=O)OCC

InChI

InChI=1S/C16H20N2O3S/c1-4-20-12-9-7-6-8-11(12)14-13(15(19)21-5-2)10(3)17-16(22)18-14/h6-9,13-14H,3-5H2,1-2H3,(H2,17,18,22)