2-[2-[(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C17H14ClNO5S MolecularWeight: 379.81476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Cl)NC(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Cl)NC(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H14ClNO5S/c18-11-7-13-14(24-6-5-23-13)8-12(11)19-16(20)9-25-15-4-2-1-3-10(15)17(21)22/h1-4,7-8H,5-6,9H2,(H,19,20)(H,21,22)