2-[3-[(4-oxidanyl-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(4-oxidanyl-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(4-hydroxy-1,3-benzothiazol-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[(4-hydroxy-1,3-benzothiazol-2-yl)methyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[(4-hydroxy-1,3-benzothiazol-2-yl)methyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-[(4-hydroxy-1,3-benzothiazol-2-yl)methyl]-4-keto-phthalazin-1-yl]acetic acid Formula: C18H13N3O4S MolecularWeight: 367.37852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=C(C=CC=C4S3)O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=C(C=CC=C4S3)O)CC(=O)O

InChI

InChI=1S/C18H13N3O4S/c22-13-6-3-7-14-17(13)19-15(26-14)9-21-18(25)11-5-2-1-4-10(11)12(20-21)8-16(23)24/h1-7,22H,8-9H2,(H,23,24)