(2R,4S)-4-oxidanyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: (2R,4S)-4-oxidanyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-4-hydroxy-1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2R,4S)-4-hydroxy-1-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-4-hydroxy-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2R,4S)-4-hydroxy-1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)pyrrolidine-2-carboxylate Formula: C14H16NO4S- MolecularWeight: 294.34614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)N3CC(CC3C(=O)[O-])O

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)N3C[C@H](C[C@@H]3C(=O)[O-])O

InChI

InChI=1S/C14H17NO4S/c16-9-6-10(14(18)19)15(7-9)13(17)12-5-8-3-1-2-4-11(8)20-12/h5,9-10,16H,1-4,6-7H2,(H,18,19)/p-1/t9-,10+/m0/s1