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

Systemtic Name: ethyl 4-[2-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H21N3O5S/c1-2-26-19(25)22-11-9-21(10-12-22)17(23)13-27-18(24)8-7-16-20-14-5-3-4-6-15(14)28-16/h3-8H,2,9-13H2,1H3/b8-7+