2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]-5-(4-thiophen-3-ylphenyl)sulfanyl-cyclopentane-1-carboxylic acid

Systemtic Name: 2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]-5-(4-thiophen-3-ylphenyl)sulfanyl-cyclopentane-1-carboxylic acid Openeye Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-5-[4-(3-thienyl)phenyl]sulfanyl-cyclopentanecarboxylic acid CAS Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-5-[[4-(3-thiophenyl)phenyl]thio]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-5-(4-thiophen-3-ylphenyl)sulfanylcyclopentane-1-carboxylic acid Traditional Name: 2-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]-5-[[4-(3-thienyl)phenyl]thio]cyclopentanecarboxylic acid Formula: C24H21N3O3S2 MolecularWeight: 463.57184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)O)SC4=CC=C(C=C4)C5=CSC=C5

Isomeric SMILES

C1CC(C(C1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)O)SC4=CC=C(C=C4)C5=CSC=C5

InChI

InChI=1S/C24H21N3O3S2/c28-23-19-3-1-2-4-20(19)25-26-27(23)13-16-7-10-21(22(16)24(29)30)32-18-8-5-15(6-9-18)17-11-12-31-14-17/h1-6,8-9,11-12,14,16,21-22H,7,10,13H2,(H,29,30)