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

Systemtic Name: phenacyl 3-(1,3-benzothiazol-2-yl)-3-methoxy-propanoate Openeye Name: phenacyl 3-(1,3-benzothiazol-2-yl)-3-methoxy-propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)-3-methoxypropanoic acid phenacyl ester IUPAC Name: phenacyl 3-(1,3-benzothiazol-2-yl)-3-methoxypropanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)-3-methoxy-propionic acid phenacyl ester Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC(=O)OCC(=O)C1=CC=CC=C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(CC(=O)OCC(=O)C1=CC=CC=C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17NO4S/c1-23-16(19-20-14-9-5-6-10-17(14)25-19)11-18(22)24-12-15(21)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3