diethyl 2-[methylamino-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-methylidene]propanedioate

Systemtic Name: diethyl 2-[methylamino-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-methylidene]propanedioate Openeye Name: diethyl 2-[(2-anilino-2-oxo-ethyl)sulfanyl-(methylamino)methylene]propanedioate CAS Name: 2-[[(2-anilino-2-oxoethyl)thio]-(methylamino)methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2-anilino-2-oxoethyl)sulfanyl-(methylamino)methylidene]propanedioate Traditional Name: 2-[[(2-anilino-2-keto-ethyl)thio]-(methylamino)methylene]malonic acid diethyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC)SCC(=O)NC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(NC)SCC(=O)NC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C17H22N2O5S/c1-4-23-16(21)14(17(22)24-5-2)15(18-3)25-11-13(20)19-12-9-7-6-8-10-12/h6-10,18H,4-5,11H2,1-3H3,(H,19,20)