5-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]thio]methyl]-2-furoic acid Formula: C16H11NO5S2 MolecularWeight: 361.39224

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)SCC4=CC=C(O4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)SCC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C16H11NO5S2/c18-15(19)13-4-2-10(22-13)6-23-16-17-11(7-24-16)9-1-3-12-14(5-9)21-8-20-12/h1-5,7H,6,8H2,(H,18,19)