1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-(4-ethoxyphenyl)butane-1,4-dione CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-(4-ethoxyphenyl)butane-1,4-dione IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-4-p-phenetyl-butane-1,4-dione Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H26N2O3S/c1-2-29-19-11-9-17(10-12-19)21(27)13-14-23(28)26-15-5-6-18(16-26)24-25-20-7-3-4-8-22(20)30-24/h3-4,7-12,18H,2,5-6,13-16H2,1H3/t18-/m1/s1