1-(3-chlorophenyl)-5-ethyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylic acid

Systemtic Name: 1-(3-chlorophenyl)-5-ethyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-5-ethyl-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-5-ethyl-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid IUPAC Name: 1-(3-chlorophenyl)-5-ethyl-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-5-ethyl-6-keto-2-thioxo-hexahydropyrimidine-4-carboxylic acid Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(NC(=S)N(C1=O)C2=CC(=CC=C2)Cl)C(=O)O

Isomeric SMILES

CCC1C(NC(=S)N(C1=O)C2=CC(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C13H13ClN2O3S/c1-2-9-10(12(18)19)15-13(20)16(11(9)17)8-5-3-4-7(14)6-8/h3-6,9-10H,2H2,1H3,(H,15,20)(H,18,19)