diethyl 2-[[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]methylidene]propanedioate Openeye Name: diethyl 2-[[[(2-oxoindol-3-yl)amino]carbamothioylamino]methylene]propanedioate CAS Name: 2-[[[[(2-oxo-3-indolyl)hydrazo]-sulfanylidenemethyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[[(2-oxoindol-3-yl)amino]carbamothioylamino]methylidene]propanedioate Traditional Name: 2-[[[(2-ketoindol-3-yl)amino]thiocarbamoylamino]methylene]malonic acid diethyl ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=S)NNC1=C2C=CC=CC2=NC1=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC(=S)NNC1=C2C=CC=CC2=NC1=O)C(=O)OCC

InChI

InChI=1S/C17H18N4O5S/c1-3-25-15(23)11(16(24)26-4-2)9-18-17(27)21-20-13-10-7-5-6-8-12(10)19-14(13)22/h5-9H,3-4H2,1-2H3,(H2,18,21,27)(H,19,20,22)