2-[4-ethoxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[4-ethoxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)-4-ethoxy-4-oxo-butyl]thiazole-5-carboxylic acid CAS Name: 2-[4-ethoxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl]-5-thiazolecarboxylic acid IUPAC Name: 2-[4-ethoxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)-4-ethoxy-4-keto-butyl]thiazole-5-carboxylic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=NC=C(S1)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CCC1=NC=C(S1)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O6S/c1-2-25-17(23)13(8-9-15-19-10-14(27-15)16(21)22)20-18(24)26-11-12-6-4-3-5-7-12/h3-7,10,13H,2,8-9,11H2,1H3,(H,20,24)(H,21,22)