4-butoxy-3-(4-chlorophenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid

Systemtic Name: 4-butoxy-3-(4-chlorophenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid Openeye Name: 4-butoxy-3-(4-chlorophenyl)-1,1-dioxo-1,2-benzothiazole-6-carboxylic acid CAS Name: 4-butoxy-3-(4-chlorophenyl)-1,1-dioxo-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 4-butoxy-3-(4-chlorophenyl)-1,1-dioxo-1,2-benzothiazole-6-carboxylic acid Traditional Name: 4-butoxy-3-(4-chlorophenyl)-1,1-diketo-1,2-benzothiazole-6-carboxylic acid Formula: C18H16ClNO5S MolecularWeight: 393.84134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2C(=CC(=C1)C(=O)O)S(=O)(=O)N=C2C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCOC1=C2C(=CC(=C1)C(=O)O)S(=O)(=O)N=C2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClNO5S/c1-2-3-8-25-14-9-12(18(21)22)10-15-16(14)17(20-26(15,23)24)11-4-6-13(19)7-5-11/h4-7,9-10H,2-3,8H2,1H3,(H,21,22)