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

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4S/c24-19(9-6-14-4-3-5-15(12-14)23(25)26)27-16-7-8-17-18(13-16)28-20(21-17)22-10-1-2-11-22/h3-9,12-13H,1-2,10-11H2/b9-6+