(2S)-2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]propanoate

Systemtic Name: (2S)-2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]propanoate Openeye Name: (2S)-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]propanoate CAS Name: (2S)-2-[[oxo-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methyl]amino]propanoate IUPAC Name: (2S)-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]propanoate Traditional Name: (2S)-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]propionate Formula: C15H12N3O3S- MolecularWeight: 314.33908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

InChI

InChI=1S/C15H13N3O3S/c1-9(14(20)21)16-13(19)10-4-5-11-12(8-10)22-15(17-11)18-6-2-3-7-18/h2-9H,1H3,(H,16,19)(H,20,21)/p-1/t9-/m0/s1