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

Systemtic Name: S-[(1S,4R,5S)-5-[ethanoyl(propyl)amino]-4-methoxy-cyclopent-2-en-1-yl] ethanethioate Openeye Name: S-[(1S,4R,5S)-5-[acetyl(propyl)amino]-4-methoxy-cyclopent-2-en-1-yl] ethanethioate CAS Name: ethanethioic acid S-[(1S,4R,5S)-5-[acetyl(propyl)amino]-4-methoxy-1-cyclopent-2-enyl] ester IUPAC Name: S-[(1S,4R,5S)-5-[acetyl(propyl)amino]-4-methoxycyclopent-2-en-1-yl] ethanethioate Traditional Name: ethanethioic acid S-[(1S,4R,5S)-5-[acetyl(propyl)amino]-4-methoxy-cyclopent-2-en-1-yl] ester Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO3S/c1-5-8-14(9(2)15)13-11(17-4)6-7-12(13)18-10(3)16/h6-7,11-13H,5,8H2,1-4H3/t11-,12+,13+/m1/s1