N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-hydroxy-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-hydroxy-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CO)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S/c25-14-17(12-15-6-2-1-3-7-15)22-20(26)16-8-9-18-19(13-16)27-21(23-18)24-10-4-5-11-24/h1-11,13,17,25H,12,14H2,(H,22,26)/t17-/m0/s1