S-[(1S,4R,5S)-5-[ethanoyl(propyl)amino]-4-oxidanyl-cyclopent-2-en-1-yl] ethanethioate

Systemtic Name: S-[(1S,4R,5S)-5-[ethanoyl(propyl)amino]-4-oxidanyl-cyclopent-2-en-1-yl] ethanethioate Openeye Name: S-[(1S,4R,5S)-5-[acetyl(propyl)amino]-4-hydroxy-cyclopent-2-en-1-yl] ethanethioate CAS Name: ethanethioic acid S-[(1S,4R,5S)-5-[acetyl(propyl)amino]-4-hydroxy-1-cyclopent-2-enyl] ester IUPAC Name: S-[(1S,4R,5S)-5-[acetyl(propyl)amino]-4-hydroxycyclopent-2-en-1-yl] ethanethioate Traditional Name: ethanethioic acid S-[(1S,4R,5S)-5-[acetyl(propyl)amino]-4-hydroxy-cyclopent-2-en-1-yl] ester Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1C(C=CC1SC(=O)C)O)C(=O)C

Isomeric SMILES

CCCN([C@H]1[C@@H](C=C[C@@H]1SC(=O)C)O)C(=O)C

InChI

InChI=1S/C12H19NO3S/c1-4-7-13(8(2)14)12-10(16)5-6-11(12)17-9(3)15/h5-6,10-12,16H,4,7H2,1-3H3/t10-,11+,12+/m1/s1