[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

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