ethyl 3-(1-methanoyl-2-phenyl-pyrrolo[2,1-b][1,3]benzothiazol-3-yl)propanoate

Systemtic Name: ethyl 3-(1-methanoyl-2-phenyl-pyrrolo[2,1-b][1,3]benzothiazol-3-yl)propanoate Openeye Name: ethyl 3-(1-formyl-2-phenyl-pyrrolo[2,1-b][1,3]benzothiazol-3-yl)propanoate CAS Name: 3-(1-formyl-2-phenyl-3-pyrrolo[2,1-b][1,3]benzothiazolyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(1-formyl-2-phenylpyrrolo[2,1-b][1,3]benzothiazol-3-yl)propanoate Traditional Name: 3-(1-formyl-2-phenyl-pyrrolo[2,1-b][1,3]benzothiazol-3-yl)propionic acid ethyl ester Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C2N(C3=CC=CC=C3S2)C(=C1C4=CC=CC=C4)C=O

Isomeric SMILES

CCOC(=O)CCC1=C2N(C3=CC=CC=C3S2)C(=C1C4=CC=CC=C4)C=O

InChI

InChI=1S/C22H19NO3S/c1-2-26-20(25)13-12-16-21(15-8-4-3-5-9-15)18(14-24)23-17-10-6-7-11-19(17)27-22(16)23/h3-11,14H,2,12-13H2,1H3