(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) (Z)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) (Z)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) (Z)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (Z)-3-(4-nitrophenyl)-2-propenoic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) (Z)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (Z)-3-(4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c24-19(10-5-14-3-6-15(7-4-14)23(25)26)27-16-8-9-17-18(13-16)28-20(21-17)22-11-1-2-12-22/h3-10,13H,1-2,11-12H2/b10-5-