methyl 5-tert-butyl-2-phenethyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-tert-butyl-2-phenethyl-thiophene-3-carboxylate Openeye Name: methyl 5-tert-butyl-2-phenethyl-thiophene-3-carboxylate CAS Name: 5-tert-butyl-2-phenethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-2-phenethylthiophene-3-carboxylate Traditional Name: 5-tert-butyl-2-phenethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H22O2S MolecularWeight: 302.43108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)CCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)CCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H22O2S/c1-18(2,3)16-12-14(17(19)20-4)15(21-16)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3