sulfanylmethyl 4,6-bis(oxidanylidene)-1-phenyl-1,3-diazinane-5-carboxylate

Systemtic Name: sulfanylmethyl 4,6-bis(oxidanylidene)-1-phenyl-1,3-diazinane-5-carboxylate Openeye Name: sulfanylmethyl 4,6-dioxo-1-phenyl-hexahydropyrimidine-5-carboxylate CAS Name: 4,6-dioxo-1-phenyl-1,3-diazinane-5-carboxylic acid mercaptomethyl ester IUPAC Name: sulfanylmethyl 4,6-dioxo-1-phenyl-1,3-diazinane-5-carboxylate Traditional Name: 4,6-diketo-1-phenyl-hexahydropyrimidine-5-carboxylic acid mercaptomethyl ester Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=O)C(C(=O)N1C2=CC=CC=C2)C(=O)OCS

Isomeric SMILES

C1NC(=O)C(C(=O)N1C2=CC=CC=C2)C(=O)OCS

InChI

InChI=1S/C12H12N2O4S/c15-10-9(12(17)18-7-19)11(16)14(6-13-10)8-4-2-1-3-5-8/h1-5,9,19H,6-7H2,(H,13,15)