(E)-3-[2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]-5-nitro-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]-5-nitro-phenyl]prop-2-enoate Openeye Name: (E)-3-[5-nitro-2-[2-[2-(p-tolyl)thiazol-4-yl]ethylamino]phenyl]prop-2-enoate CAS Name: (E)-3-[2-[2-[2-(4-methylphenyl)-4-thiazolyl]ethylamino]-5-nitrophenyl]-2-propenoate IUPAC Name: (E)-3-[2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]-5-nitrophenyl]prop-2-enoate Traditional Name: (E)-3-[5-nitro-2-[2-[2-(p-tolyl)thiazol-4-yl]ethylamino]phenyl]acrylate Formula: C21H18N3O4S- MolecularWeight: 408.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])C=CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])/C=C/C(=O)[O-]

InChI

InChI=1S/C21H19N3O4S/c1-14-2-4-15(5-3-14)21-23-17(13-29-21)10-11-22-19-8-7-18(24(27)28)12-16(19)6-9-20(25)26/h2-9,12-13,22H,10-11H2,1H3,(H,25,26)/p-1/b9-6+