O1-ethyl O4-(2-sulfanylethyl) (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-(2-sulfanylethyl) (E)-but-2-enedioate Openeye Name: O1-ethyl O4-(2-sulfanylethyl) (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-(2-mercaptoethyl) ester IUPAC Name: 1-O-ethyl 4-O-(2-sulfanylethyl) (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-(2-mercaptoethyl) ester Formula: C8H12O4S MolecularWeight: 204.24348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCCS

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCCS

InChI

InChI=1S/C8H12O4S/c1-2-11-7(9)3-4-8(10)12-5-6-13/h3-4,13H,2,5-6H2,1H3/b4-3+