5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)furan-2-carboxylic acid

Systemtic Name: 5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)furan-2-carboxylic acid Openeye Name: 5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)furan-2-carboxylic acid CAS Name: 5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-2-furancarboxylic acid IUPAC Name: 5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)furan-2-carboxylic acid Traditional Name: 5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-2-furoic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)CC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)CC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C13H13NO3S/c15-13(16)10-6-5-8(17-10)7-12-14-9-3-1-2-4-11(9)18-12/h5-6H,1-4,7H2,(H,15,16)