[2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [2-(4-ethyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [2-(4-ethylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S/c1-2-24-10-12-25(13-11-24)22-23-19-8-7-18(15-20(19)31-22)30-21(27)9-6-16-4-3-5-17(14-16)26(28)29/h3-9,14-15H,2,10-13H2,1H3/b9-6+