methyl 1-[2-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]oxyacetyl]isonipecotic acid methyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H20N2O5S/c1-25-19(24)13-8-10-21(11-9-13)17(22)12-26-18(23)7-6-16-20-14-4-2-3-5-15(14)27-16/h2-7,13H,8-12H2,1H3/b7-6+