3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoic acid Openeye Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoic acid CAS Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoic acid IUPAC Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]benzoic acid Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=CC(=C2)C(=O)O)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=CC(=C2)C(=O)O)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H13N3O3S/c19-16-15(17-20-12-6-1-2-7-14(12)25-17)13(22)9-21(16)11-5-3-4-10(8-11)18(23)24/h1-8H,9,19H2,(H,23,24)