2-[[3-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propanoyl]amino]benzoic acid

Systemtic Name: 2-[[3-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propanoyl]amino]benzoic acid Openeye Name: 2-[[3-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-oxo-propanoyl]amino]benzoic acid CAS Name: 2-[[3-[(6-bromo-1,3-benzothiazol-2-yl)amino]-1,3-dioxopropyl]amino]benzoic acid IUPAC Name: 2-[[3-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-oxopropanoyl]amino]benzoic acid Traditional Name: 2-[[3-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-keto-propanoyl]amino]benzoic acid Formula: C17H12BrN3O4S MolecularWeight: 434.26388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C17H12BrN3O4S/c18-9-5-6-12-13(7-9)26-17(20-12)21-15(23)8-14(22)19-11-4-2-1-3-10(11)16(24)25/h1-7H,8H2,(H,19,22)(H,24,25)(H,20,21,23)