1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Openeye Name: 1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-4-(5-methyl-2-thienyl)butane-1,4-dione CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-4-(5-methyl-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Traditional Name: 1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-4-(5-methyl-2-thienyl)butane-1,4-dione Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CCCCC[C@@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27NO3S/c1-16-7-13-21(27-16)20(24)12-14-22(25)23-15-5-3-4-6-19(23)17-8-10-18(26-2)11-9-17/h7-11,13,19H,3-6,12,14-15H2,1-2H3/t19-/m1/s1