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

Systemtic Name: dimethyl (2E)-2-[1-butyl-3-(phenylmethyl)imidazol-2-ylidene]-3-sulfanylidene-butanedioate Openeye Name: dimethyl (2E)-2-(1-benzyl-3-butyl-imidazol-2-ylidene)-3-thioxo-butanedioate CAS Name: (2E)-2-[1-butyl-3-(phenylmethyl)-2-imidazolylidene]-3-sulfanylidenebutanedioic acid dimethyl ester IUPAC Name: dimethyl (2E)-2-(1-benzyl-3-butylimidazol-2-ylidene)-3-sulfanylidenebutanedioate Traditional Name: (2E)-2-(1-benzyl-3-butyl-4-imidazolin-2-ylidene)-3-thioxo-succinic acid dimethyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CN(C1=C(C(=S)C(=O)OC)C(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-4-5-11-21-12-13-22(14-15-9-7-6-8-10-15)18(21)16(19(23)25-2)17(27)20(24)26-3/h6-10,12-13H,4-5,11,14H2,1-3H3/b18-16-