4-pyrrolidin-1-yl-2,3-dihydrothiochromene-4-carboxylic acid

Systemtic Name: 4-pyrrolidin-1-yl-2,3-dihydrothiochromene-4-carboxylic acid Openeye Name: 4-pyrrolidin-1-ylthiochromane-4-carboxylic acid CAS Name: 4-(1-pyrrolidinyl)-2,3-dihydro-1-benzothiopyran-4-carboxylic acid IUPAC Name: 4-pyrrolidin-1-yl-2,3-dihydrothiochromene-4-carboxylic acid Traditional Name: 4-pyrrolidinothiochroman-4-carboxylic acid Formula: C14H17NO2S MolecularWeight: 263.35528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2(CCSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCN(C1)C2(CCSC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C14H17NO2S/c16-13(17)14(15-8-3-4-9-15)7-10-18-12-6-2-1-5-11(12)14/h1-2,5-6H,3-4,7-10H2,(H,16,17)