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

Systemtic Name: (2S)-3-phenyl-2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]propanoate Openeye Name: (2S)-3-phenyl-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]-3-phenylpropanoate IUPAC Name: (2S)-3-phenyl-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]propanoate Traditional Name: (2S)-3-phenyl-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]propionate Formula: C21H16N3O3S- MolecularWeight: 390.43504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C21H17N3O3S/c25-19(22-17(20(26)27)12-14-6-2-1-3-7-14)15-8-9-16-18(13-15)28-21(23-16)24-10-4-5-11-24/h1-11,13,17H,12H2,(H,22,25)(H,26,27)/p-1/t17-/m0/s1