5-[bis(1,3-benzothiazol-2-yl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[bis(1,3-benzothiazol-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[bis(1,3-benzothiazol-2-yl)amino]-5-oxo-pentanoic acid CAS Name: 5-[bis(1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 5-[bis(1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-[bis(1,3-benzothiazol-2-yl)amino]-5-keto-valeric acid Formula: C19H15N3O3S2 MolecularWeight: 397.4707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N(C3=NC4=CC=CC=C4S3)C(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N(C3=NC4=CC=CC=C4S3)C(=O)CCCC(=O)O

InChI

InChI=1S/C19H15N3O3S2/c23-16(10-5-11-17(24)25)22(18-20-12-6-1-3-8-14(12)26-18)19-21-13-7-2-4-9-15(13)27-19/h1-4,6-9H,5,10-11H2,(H,24,25)