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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)furan-2-yl]methylsulfanyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-2-furyl]methylsulfanyl]thiazole-4-carboxylic acid CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-2-furanyl]methylthio]-4-thiazolecarboxylic acid IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)furan-2-yl]methylsulfanyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-2-furyl]methylthio]thiazole-4-carboxylic acid Formula: C16H11NO5S2 MolecularWeight: 361.39224

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC=C(O3)CSC4=NC(=CS4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC=C(O3)CSC4=NC(=CS4)C(=O)O

InChI

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