ethyl (5E)-2-(diethoxyphosphinothioylamino)-4-oxidanylidene-5-[oxidanyl(phenyl)methylidene]thiophene-3-carboxylate

Systemtic Name: ethyl (5E)-2-(diethoxyphosphinothioylamino)-4-oxidanylidene-5-[oxidanyl(phenyl)methylidene]thiophene-3-carboxylate Openeye Name: ethyl (5E)-2-(diethoxyphosphinothioylamino)-5-[hydroxy(phenyl)methylene]-4-oxo-thiophene-3-carboxylate CAS Name: (5E)-2-(diethoxyphosphinothioylamino)-5-[hydroxy(phenyl)methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-2-(diethoxyphosphinothioylamino)-5-[hydroxy(phenyl)methylidene]-4-oxothiophene-3-carboxylate Traditional Name: (5E)-2-(diethoxythiophosphorylamino)-5-[hydroxy(phenyl)methylene]-4-keto-thiophene-3-carboxylic acid ethyl ester Formula: C18H22NO6PS2 MolecularWeight: 443.474141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C(C2=CC=CC=C2)O)C1=O)NP(=S)(OCC)OCC

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C(\C2=CC=CC=C2)/O)/C1=O)NP(=S)(OCC)OCC

InChI

InChI=1S/C18H22NO6PS2/c1-4-23-18(22)13-15(21)16(14(20)12-10-8-7-9-11-12)28-17(13)19-26(27,24-5-2)25-6-3/h7-11,20H,4-6H2,1-3H3,(H,19,27)/b16-14+