2-[1-(7-chloranyl-1,3-benzodioxol-5-yl)-3-oxidanylidene-3-thiophen-2-yl-propyl]sulfanylethanoic acid

Systemtic Name: 2-[1-(7-chloranyl-1,3-benzodioxol-5-yl)-3-oxidanylidene-3-thiophen-2-yl-propyl]sulfanylethanoic acid Openeye Name: 2-[1-(7-chloro-1,3-benzodioxol-5-yl)-3-oxo-3-(2-thienyl)propyl]sulfanylacetic acid CAS Name: 2-[[1-(7-chloro-1,3-benzodioxol-5-yl)-3-oxo-3-thiophen-2-ylpropyl]thio]acetic acid IUPAC Name: 2-[1-(7-chloro-1,3-benzodioxol-5-yl)-3-oxo-3-thiophen-2-ylpropyl]sulfanylacetic acid Traditional Name: 2-[[1-(7-chloro-1,3-benzodioxol-5-yl)-3-keto-3-(2-thienyl)propyl]thio]acetic acid Formula: C16H13ClO5S2 MolecularWeight: 384.85442

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(CC(=O)C3=CC=CS3)SCC(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(CC(=O)C3=CC=CS3)SCC(=O)O)Cl

InChI

InChI=1S/C16H13ClO5S2/c17-10-4-9(5-12-16(10)22-8-21-12)14(24-7-15(19)20)6-11(18)13-2-1-3-23-13/h1-5,14H,6-8H2,(H,19,20)