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

Systemtic Name: ethyl 4-methylidene-6-(3-phenoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-methylene-6-(3-phenoxyphenyl)-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-6-(3-phenoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methylidene-6-(3-phenoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-methylene-6-(3-phenoxyphenyl)-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S/c1-3-24-19(23)17-13(2)21-20(26)22-18(17)14-8-7-11-16(12-14)25-15-9-5-4-6-10-15/h4-12,17-18H,2-3H2,1H3,(H2,21,22,26)