prop-2-enyl (3S,6Z,9R)-3-azanyl-9-methyl-2-oxidanylidene-3,4,8,9-tetrahydro-1,5-oxathionine-6-carboxylate

Systemtic Name: prop-2-enyl (3S,6Z,9R)-3-azanyl-9-methyl-2-oxidanylidene-3,4,8,9-tetrahydro-1,5-oxathionine-6-carboxylate Openeye Name: allyl (3S,6Z,9R)-3-amino-9-methyl-2-oxo-3,4,8,9-tetrahydro-1,5-oxathionine-6-carboxylate CAS Name: (3S,6Z,9R)-3-amino-9-methyl-2-oxo-3,4,8,9-tetrahydro-1,5-oxathionin-6-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (3S,6Z,9R)-3-amino-9-methyl-2-oxo-3,4,8,9-tetrahydro-1,5-oxathionine-6-carboxylate Traditional Name: (3S,6Z,9R)-3-amino-2-keto-9-methyl-3,4,8,9-tetrahydro-1,5-oxathionin-6-carboxylic acid allyl ester Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=C(SCC(C(=O)O1)N)C(=O)OCC=C

Isomeric SMILES

C[C@@H]1C/C=C(\SC[C@H](C(=O)O1)N)/C(=O)OCC=C

InChI

InChI=1S/C12H17NO4S/c1-3-6-16-12(15)10-5-4-8(2)17-11(14)9(13)7-18-10/h3,5,8-9H,1,4,6-7,13H2,2H3/b10-5-/t8-,9-/m1/s1