dimethyl 2-[(1-pyrrol-2-ylideneethylamino)carbamothioylamino]pentanedioate

Systemtic Name: dimethyl 2-[(1-pyrrol-2-ylideneethylamino)carbamothioylamino]pentanedioate Openeye Name: dimethyl 2-[(1-pyrrol-2-ylideneethylamino)carbamothioylamino]pentanedioate CAS Name: 2-[[[1-(2-pyrrolylidene)ethylhydrazo]-sulfanylidenemethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1-pyrrol-2-ylideneethylamino)carbamothioylamino]pentanedioate Traditional Name: 2-[(1-pyrrol-2-ylideneethylamino)thiocarbamoylamino]glutaric acid dimethyl ester Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC=N1)NNC(=S)NC(CCC(=O)OC)C(=O)OC

Isomeric SMILES

CC(=C1C=CC=N1)NNC(=S)NC(CCC(=O)OC)C(=O)OC

InChI

InChI=1S/C14H20N4O4S/c1-9(10-5-4-8-15-10)17-18-14(23)16-11(13(20)22-3)6-7-12(19)21-2/h4-5,8,11,17H,6-7H2,1-3H3,(H2,16,18,23)