(4-cyano-2-methoxy-phenyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate CAS Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Traditional Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid (4-cyano-2-methoxy-phenyl) ester Formula: C18H17NO3S MolecularWeight: 327.39748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)C2=CC3=C(S2)CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)C2=CC3=C(S2)CCCCC3

InChI

InChI=1S/C18H17NO3S/c1-21-15-9-12(11-19)7-8-14(15)22-18(20)17-10-13-5-3-2-4-6-16(13)23-17/h7-10H,2-6H2,1H3