phenacyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: phenacyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: phenacyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid phenacyl ester IUPAC Name: phenacyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid phenacyl ester Formula: C18H15NO3S MolecularWeight: 325.3816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H15NO3S/c20-15(13-6-2-1-3-7-13)12-22-18(21)11-10-17-19-14-8-4-5-9-16(14)23-17/h1-9H,10-12H2