2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]propanedioic acid

Systemtic Name: 2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]propanedioic acid Openeye Name: 2-[2-(benzyloxycarbonylamino)thiazol-4-yl]propanedioic acid CAS Name: 2-[2-(phenylmethoxycarbonylamino)-4-thiazolyl]propanedioic acid IUPAC Name: 2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]propanedioic acid Traditional Name: 2-[2-(benzyloxycarbonylamino)thiazol-4-yl]malonic acid Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=NC(=CS2)C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=NC(=CS2)C(C(=O)O)C(=O)O

InChI

InChI=1S/C14H12N2O6S/c17-11(18)10(12(19)20)9-7-23-13(15-9)16-14(21)22-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2,(H,17,18)(H,19,20)(H,15,16,21)