(2-piperidin-1-yl-1,3-benzothiazol-6-yl) (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-(1-piperidyl)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [2-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid (2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S/c25-20(10-7-15-5-4-6-16(13-15)24(26)27)28-17-8-9-18-19(14-17)29-21(22-18)23-11-2-1-3-12-23/h4-10,13-14H,1-3,11-12H2/b10-7+