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

Systemtic Name: (E)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-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-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]prop-2-en-1-one Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCCC2C3=NC4=CC=CC=C4S3)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCCC2C3=NC4=CC=CC=C4S3)OCC=C

InChI

InChI=1S/C24H24N2O3S/c1-3-15-29-20-12-10-17(16-21(20)28-2)11-13-23(27)26-14-6-8-19(26)24-25-18-7-4-5-9-22(18)30-24/h3-5,7,9-13,16,19H,1,6,8,14-15H2,2H3/b13-11+