2-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C16H12ClNO5S MolecularWeight: 365.78818

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)NC(=O)CSC3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)NC(=O)CSC3=CC=CC=C3C(=O)O)Cl

InChI

InChI=1S/C16H12ClNO5S/c17-10-5-12-13(23-8-22-12)6-11(10)18-15(19)7-24-14-4-2-1-3-9(14)16(20)21/h1-6H,7-8H2,(H,18,19)(H,20,21)