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

Systemtic Name: ethyl 4-methylidene-6-(2-phenylmethoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-(2-benzyloxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-6-(2-phenylmethoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methylidene-6-(2-phenylmethoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-(2-benzoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC=CC=C2OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-3-25-20(24)18-14(2)22-21(27)23-19(18)16-11-7-8-12-17(16)26-13-15-9-5-4-6-10-15/h4-12,18-19H,2-3,13H2,1H3,(H2,22,23,27)