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

Systemtic Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-(4-methylpiperazin-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-methyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [2-(4-methylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S/c1-23-9-11-24(12-10-23)21-22-18-7-6-17(14-19(18)30-21)29-20(26)8-5-15-3-2-4-16(13-15)25(27)28/h2-8,13-14H,9-12H2,1H3/b8-5+