ethyl 5-[5-[3-(2-chlorophenyl)propanoyl]thiophen-2-yl]-3,3-dimethyl-pentanoate

Systemtic Name: ethyl 5-[5-[3-(2-chlorophenyl)propanoyl]thiophen-2-yl]-3,3-dimethyl-pentanoate Openeye Name: ethyl 5-[5-[3-(2-chlorophenyl)propanoyl]-2-thienyl]-3,3-dimethyl-pentanoate CAS Name: 5-[5-[3-(2-chlorophenyl)-1-oxopropyl]-2-thiophenyl]-3,3-dimethylpentanoic acid ethyl ester IUPAC Name: ethyl 5-[5-[3-(2-chlorophenyl)propanoyl]thiophen-2-yl]-3,3-dimethylpentanoate Traditional Name: 5-[5-[3-(2-chlorophenyl)propanoyl]-2-thienyl]-3,3-dimethyl-valeric acid ethyl ester Formula: C22H27ClO3S MolecularWeight: 406.96598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)CCC1=CC=C(S1)C(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)CC(C)(C)CCC1=CC=C(S1)C(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C22H27ClO3S/c1-4-26-21(25)15-22(2,3)14-13-17-10-12-20(27-17)19(24)11-9-16-7-5-6-8-18(16)23/h5-8,10,12H,4,9,11,13-15H2,1-3H3