2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]acetic acid CAS Name: 2-[[oxo-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methyl]amino]acetic acid IUPAC Name: 2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]acetic acid Traditional Name: 2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]acetic acid Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCC(=O)O

Isomeric SMILES

C1=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCC(=O)O

InChI

InChI=1S/C14H11N3O3S/c18-12(19)8-15-13(20)9-3-4-10-11(7-9)21-14(16-10)17-5-1-2-6-17/h1-7H,8H2,(H,15,20)(H,18,19)