(4-methoxycarbonylphenyl) 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C18H18O4S MolecularWeight: 330.39812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H18O4S/c1-11-3-8-15-13(9-11)10-16(23-15)18(20)22-14-6-4-12(5-7-14)17(19)21-2/h4-7,10-11H,3,8-9H2,1-2H3