1-[(3S,4R)-4-oxidanyl-3-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[(3S,4R)-4-oxidanyl-3-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]cyclopentane-1-carboxylic acid Openeye Name: 1-[(3S,4R)-4-hydroxy-3-(2-thienylmethyl)chroman-7-yl]cyclopentanecarboxylic acid CAS Name: 1-[(3S,4R)-4-hydroxy-3-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[(3S,4R)-4-hydroxy-3-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]cyclopentane-1-carboxylic acid Traditional Name: 1-[(3S,4R)-4-hydroxy-3-(2-thenyl)chroman-7-yl]cyclopentanecarboxylic acid Formula: C20H22O4S MolecularWeight: 358.45128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC3=C(C=C2)C(C(CO3)CC4=CC=CS4)O)C(=O)O

Isomeric SMILES

C1CCC(C1)(C2=CC3=C(C=C2)[C@@H]([C@H](CO3)CC4=CC=CS4)O)C(=O)O

InChI

InChI=1S/C20H22O4S/c21-18-13(10-15-4-3-9-25-15)12-24-17-11-14(5-6-16(17)18)20(19(22)23)7-1-2-8-20/h3-6,9,11,13,18,21H,1-2,7-8,10,12H2,(H,22,23)/t13-,18+/m0/s1