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

Systemtic Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-3-22(4-2)20-21-17-10-9-16(13-18(17)28-20)27-19(24)11-8-14-6-5-7-15(12-14)23(25)26/h5-13H,3-4H2,1-2H3/b11-8+