5-[5-[2-(phenylmethoxycarbonylamino)ethyl]-1,2-thiazol-3-yl]-1,2-thiazole-3-carboxylic acid

Systemtic Name: 5-[5-[2-(phenylmethoxycarbonylamino)ethyl]-1,2-thiazol-3-yl]-1,2-thiazole-3-carboxylic acid Openeye Name: 5-[5-[2-(benzyloxycarbonylamino)ethyl]isothiazol-3-yl]isothiazole-3-carboxylic acid CAS Name: 5-[5-[2-(phenylmethoxycarbonylamino)ethyl]-3-isothiazolyl]-3-isothiazolecarboxylic acid IUPAC Name: 5-[5-[2-(phenylmethoxycarbonylamino)ethyl]-1,2-thiazol-3-yl]-1,2-thiazole-3-carboxylic acid Traditional Name: 5-[5-[2-(benzyloxycarbonylamino)ethyl]isothiazol-3-yl]isothiazole-3-carboxylic acid Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCC2=CC(=NS2)C3=CC(=NS3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCC2=CC(=NS2)C3=CC(=NS3)C(=O)O

InChI

InChI=1S/C17H15N3O4S2/c21-16(22)14-9-15(26-20-14)13-8-12(25-19-13)6-7-18-17(23)24-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,18,23)(H,21,22)