6-[bis(1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 6-[bis(1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid Openeye Name: 6-[bis(1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid CAS Name: 6-[[bis(1,3-benzothiazol-2-yl)amino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[bis(1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid Traditional Name: 6-[bis(1,3-benzothiazol-2-yl)carbamoyl]picolinic acid Formula: C21H12N4O3S2 MolecularWeight: 432.47498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N(C3=NC4=CC=CC=C4S3)C(=O)C5=NC(=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N(C3=NC4=CC=CC=C4S3)C(=O)C5=NC(=CC=C5)C(=O)O

InChI

InChI=1S/C21H12N4O3S2/c26-18(14-8-5-9-15(22-14)19(27)28)25(20-23-12-6-1-3-10-16(12)29-20)21-24-13-7-2-4-11-17(13)30-21/h1-11H,(H,27,28)