(1S,6S)-6-[(R)-1-benzothiophen-3-yl(oxidanyl)methyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[(R)-1-benzothiophen-3-yl(oxidanyl)methyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(R)-benzothiophen-3-yl(hydroxy)methyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(R)-1-benzothiophen-3-yl(hydroxy)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(R)-1-benzothiophen-3-yl(hydroxy)methyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(R)-benzothiophen-3-yl(hydroxy)methyl]cyclohex-3-ene-1-carboxylate Formula: C16H15O3S- MolecularWeight: 287.3535

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(C2=CSC3=CC=CC=C32)O)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@H]1[C@H](C2=CSC3=CC=CC=C32)O)C(=O)[O-]

InChI

InChI=1S/C16H16O3S/c17-15(11-6-1-2-7-12(11)16(18)19)13-9-20-14-8-4-3-5-10(13)14/h1-5,8-9,11-12,15,17H,6-7H2,(H,18,19)/p-1/t11-,12-,15+/m0/s1