1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-7-(5-methylthiophen-2-yl)heptane-1,4,7-trione

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-7-(5-methylthiophen-2-yl)heptane-1,4,7-trione Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-7-(5-methyl-2-thienyl)heptane-1,4,7-trione CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-7-(5-methyl-2-thiophenyl)heptane-1,4,7-trione IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-7-(5-methylthiophen-2-yl)heptane-1,4,7-trione Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-7-(5-methyl-2-thienyl)heptane-1,4,7-trione Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H24N2O3S2/c1-15-8-12-21(29-15)19(27)11-9-16(26)10-13-22(28)25-14-4-6-18(25)23-24-17-5-2-3-7-20(17)30-23/h2-3,5,7-8,12,18H,4,6,9-11,13-14H2,1H3