2-[4-(1,3-benzothiazol-2-yl)phenoxy]-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(1,3-benzothiazol-2-yl)phenoxy]ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(1,3-benzothiazol-2-yl)phenoxy]ethanone Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H22N2O2S/c1-4-13-26-16(2)14-20(17(26)3)22(27)15-28-19-11-9-18(10-12-19)24-25-21-7-5-6-8-23(21)29-24/h4-12,14H,1,13,15H2,2-3H3