diethyl 2-(hydroxymethyl)-2-[(phenylmethylsulfanyl)carbothioylamino]propanedioate

Systemtic Name: diethyl 2-(hydroxymethyl)-2-[(phenylmethylsulfanyl)carbothioylamino]propanedioate Openeye Name: diethyl 2-(benzylsulfanylcarbothioylamino)-2-(hydroxymethyl)propanedioate CAS Name: 2-(hydroxymethyl)-2-[[(phenylmethylthio)-sulfanylidenemethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(benzylsulfanylcarbothioylamino)-2-(hydroxymethyl)propanedioate Traditional Name: 2-[(benzylthio)carbothioylamino]-2-methylol-malonic acid diethyl ester Formula: C16H21NO5S2 MolecularWeight: 371.47164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CO)(C(=O)OCC)NC(=S)SCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(CO)(C(=O)OCC)NC(=S)SCC1=CC=CC=C1

InChI

InChI=1S/C16H21NO5S2/c1-3-21-13(19)16(11-18,14(20)22-4-2)17-15(23)24-10-12-8-6-5-7-9-12/h5-9,18H,3-4,10-11H2,1-2H3,(H,17,23)