2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-thiazole-5-carboxylic acid Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2COC3=CC=CC=C3O2)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)[C@@H]2COC3=CC=CC=C3O2)C(=O)O

InChI

InChI=1S/C13H11NO4S/c1-7-11(13(15)16)19-12(14-7)10-6-17-8-4-2-3-5-9(8)18-10/h2-5,10H,6H2,1H3,(H,15,16)/t10-/m0/s1