dimethyl (2E)-2-[1-ethyl-3-(phenylmethyl)imidazol-2-ylidene]-3-sulfanylidene-butanedioate

Systemtic Name: dimethyl (2E)-2-[1-ethyl-3-(phenylmethyl)imidazol-2-ylidene]-3-sulfanylidene-butanedioate Openeye Name: dimethyl (2E)-2-(1-benzyl-3-ethyl-imidazol-2-ylidene)-3-thioxo-butanedioate CAS Name: (2E)-2-[1-ethyl-3-(phenylmethyl)-2-imidazolylidene]-3-sulfanylidenebutanedioic acid dimethyl ester IUPAC Name: dimethyl (2E)-2-(1-benzyl-3-ethylimidazol-2-ylidene)-3-sulfanylidenebutanedioate Traditional Name: (2E)-2-(1-benzyl-3-ethyl-4-imidazolin-2-ylidene)-3-thioxo-succinic acid dimethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN(C1=C(C(=S)C(=O)OC)C(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

CCN\1C=CN(/C1=C(/C(=S)C(=O)OC)\C(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O4S/c1-4-19-10-11-20(12-13-8-6-5-7-9-13)16(19)14(17(21)23-2)15(25)18(22)24-3/h5-11H,4,12H2,1-3H3/b16-14-