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

Systemtic Name: 2-[2-azanyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[2-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-5-yl]acetate CAS Name: 2-[2-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-thiazolyl]acetate IUPAC Name: 2-[2-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-5-yl]acetate Formula: C14H13N2O4S- MolecularWeight: 305.32902

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=C(SC(=N3)N)CC(=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=C(SC(=N3)N)CC(=O)[O-])OC1

InChI

InChI=1S/C14H14N2O4S/c15-14-16-13(11(21-14)7-12(17)18)8-2-3-9-10(6-8)20-5-1-4-19-9/h2-3,6H,1,4-5,7H2,(H2,15,16)(H,17,18)/p-1