(E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-(3-methylsulfanylpropyl)carbamate

Systemtic Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-(3-methylsulfanylpropyl)carbamate Openeye Name: fumaric acid; 3-(1H-imidazol-5-yl)propyl N-(3-methylsulfanylpropyl)carbamate CAS Name: (E)-2-butenedioic acid; N-[3-(methylthio)propyl]carbamic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-(3-methylsulfanylpropyl)carbamate Traditional Name: fumaric acid; N-[3-(methylthio)propyl]carbamic acid 3-(1H-imidazol-5-yl)propyl ester Formula: C15H23N3O6S MolecularWeight: 373.42462

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)OCCCC1=CN=CN1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CSCCCNC(=O)OCCCC1=CN=CN1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H19N3O2S.C4H4O4/c1-17-7-3-5-13-11(15)16-6-2-4-10-8-12-9-14-10;5-3(6)1-2-4(7)8/h8-9H,2-7H2,1H3,(H,12,14)(H,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1+