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

Systemtic Name: (phenylmethyl) 4-(2-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(C(=C)NC(=S)N2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1C2C(C(=C)NC(=S)N2)C(=O)OCC3=CC=CC=C3

InChI

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