4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)thiazole-2-carboxylic acid CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]thiazole-2-carboxylic acid Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=CSC(=N3)C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=CSC(=N3)C(=O)O)OC1

InChI

InChI=1S/C14H13NO4S2/c16-14(17)13-15-9(8-21-13)7-20-10-2-3-11-12(6-10)19-5-1-4-18-11/h2-3,6,8H,1,4-5,7H2,(H,16,17)