diethyl (2Z)-2-[[(3-methylphenyl)carbamothioylamino]methylidene]-3-oxidanylidene-butanedioate

Systemtic Name: diethyl (2Z)-2-[[(3-methylphenyl)carbamothioylamino]methylidene]-3-oxidanylidene-butanedioate Openeye Name: diethyl (2Z)-2-[(m-tolylcarbamothioylamino)methylene]-3-oxo-butanedioate CAS Name: (2Z)-2-[[[(3-methylanilino)-sulfanylidenemethyl]amino]methylidene]-3-oxobutanedioic acid diethyl ester IUPAC Name: diethyl (2Z)-2-[[(3-methylphenyl)carbamothioylamino]methylidene]-3-oxobutanedioate Traditional Name: (3Z)-2-keto-3-[(m-tolylthiocarbamoylamino)methylene]succinic acid diethyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=S)NC1=CC=CC(=C1)C)C(=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)/C(=C\NC(=S)NC1=CC=CC(=C1)C)/C(=O)C(=O)OCC

InChI

InChI=1S/C17H20N2O5S/c1-4-23-15(21)13(14(20)16(22)24-5-2)10-18-17(25)19-12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3,(H2,18,19,25)/b13-10-