3-(1-methanoyl-2-phenyl-pyrrolo[2,1-b][1,3]benzothiazol-3-yl)propanoic acid

Systemtic Name: 3-(1-methanoyl-2-phenyl-pyrrolo[2,1-b][1,3]benzothiazol-3-yl)propanoic acid Openeye Name: 3-(1-formyl-2-phenyl-pyrrolo[2,1-b][1,3]benzothiazol-3-yl)propanoic acid CAS Name: 3-(1-formyl-2-phenyl-3-pyrrolo[2,1-b][1,3]benzothiazolyl)propanoic acid IUPAC Name: 3-(1-formyl-2-phenylpyrrolo[2,1-b][1,3]benzothiazol-3-yl)propanoic acid Traditional Name: 3-(1-formyl-2-phenyl-pyrrolo[2,1-b][1,3]benzothiazol-3-yl)propionic acid Formula: C20H15NO3S MolecularWeight: 349.403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N3C4=CC=CC=C4SC3=C2CCC(=O)O)C=O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N3C4=CC=CC=C4SC3=C2CCC(=O)O)C=O

InChI

InChI=1S/C20H15NO3S/c22-12-16-19(13-6-2-1-3-7-13)14(10-11-18(23)24)20-21(16)15-8-4-5-9-17(15)25-20/h1-9,12H,10-11H2,(H,23,24)