(2-morpholin-4-yl-1,3-benzothiazol-6-yl) (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: (2-morpholino-1,3-benzothiazol-6-yl) (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [2-(4-morpholinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid (2-morpholino-1,3-benzothiazol-6-yl) ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)OC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)OC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S/c24-19(7-4-14-2-1-3-15(12-14)23(25)26)28-16-5-6-17-18(13-16)29-20(21-17)22-8-10-27-11-9-22/h1-7,12-13H,8-11H2/b7-4+