(E)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(1-methylpyrazol-4-yl)-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(1-methylpyrazol-4-yl)-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(1-methyl-4-pyrazolyl)-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(1-methylpyrazol-4-yl)acrylamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C=CC4=CN(N=C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)/C=C/C4=CN(N=C4)C

InChI

InChI=1S/C23H22N4O2S/c1-3-29-19-10-11-20-21(13-19)30-23(25-20)27(16-17-7-5-4-6-8-17)22(28)12-9-18-14-24-26(2)15-18/h4-15H,3,16H2,1-2H3/b12-9+