dimethyl 1-(phenylcarbamothioyl)aziridine-2,2-dicarboxylate

Systemtic Name: dimethyl 1-(phenylcarbamothioyl)aziridine-2,2-dicarboxylate Openeye Name: dimethyl 1-(phenylcarbamothioyl)aziridine-2,2-dicarboxylate CAS Name: 1-[anilino(sulfanylidene)methyl]aziridine-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(phenylcarbamothioyl)aziridine-2,2-dicarboxylate Traditional Name: 1-(phenylthiocarbamoyl)ethylenimine-2,2-dicarboxylic acid dimethyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CN1C(=S)NC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1(CN1C(=S)NC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C13H14N2O4S/c1-18-10(16)13(11(17)19-2)8-15(13)12(20)14-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,14,20)