methyl (2E)-4-oxidanylidene-2-[1-(phenylmethyl)pyrrolidin-2-ylidene]-4-thiophen-2-yl-butanoate

Systemtic Name: methyl (2E)-4-oxidanylidene-2-[1-(phenylmethyl)pyrrolidin-2-ylidene]-4-thiophen-2-yl-butanoate Openeye Name: methyl (2E)-2-(1-benzylpyrrolidin-2-ylidene)-4-oxo-4-(2-thienyl)butanoate CAS Name: (2E)-4-oxo-2-[1-(phenylmethyl)-2-pyrrolidinylidene]-4-thiophen-2-ylbutanoic acid methyl ester IUPAC Name: methyl (2E)-2-(1-benzylpyrrolidin-2-ylidene)-4-oxo-4-thiophen-2-ylbutanoate Traditional Name: (2E)-2-(1-benzylpyrrolidin-2-ylidene)-4-keto-4-(2-thienyl)butyric acid methyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1CCCN1CC2=CC=CC=C2)CC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)/C(=C/1\CCCN1CC2=CC=CC=C2)/CC(=O)C3=CC=CS3

InChI

InChI=1S/C20H21NO3S/c1-24-20(23)16(13-18(22)19-10-6-12-25-19)17-9-5-11-21(17)14-15-7-3-2-4-8-15/h2-4,6-8,10,12H,5,9,11,13-14H2,1H3/b17-16+