(E)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-1-[4-(1,3-benzothiazol-2-yl)piperidino]prop-2-en-1-one Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OCC=C

InChI

InChI=1S/C25H26N2O3S/c1-3-16-30-21-10-8-18(17-22(21)29-2)9-11-24(28)27-14-12-19(13-15-27)25-26-20-6-4-5-7-23(20)31-25/h3-11,17,19H,1,12-16H2,2H3/b11-9+