2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]acetic acid CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiazolyl]acetic acid IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]acetic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CSC(=N3)CC(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CSC(=N3)CC(=O)O)OC1

InChI

InChI=1S/C14H13NO4S/c16-14(17)7-13-15-10(8-20-13)9-2-3-11-12(6-9)19-5-1-4-18-11/h2-3,6,8H,1,4-5,7H2,(H,16,17)