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

Systemtic Name: ethyl 4-methylidene-6-(2-propan-2-yloxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-(2-isopropoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-6-(2-propan-2-yloxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methylidene-6-(2-propan-2-yloxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-(2-isopropoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC=CC=C2OC(C)C

Isomeric SMILES

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC=CC=C2OC(C)C

InChI

InChI=1S/C17H22N2O3S/c1-5-21-16(20)14-11(4)18-17(23)19-15(14)12-8-6-7-9-13(12)22-10(2)3/h6-10,14-15H,4-5H2,1-3H3,(H2,18,19,23)