methyl 2-(hexanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(hexanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(hexanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-(1-oxohexylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(hexanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(caproylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H25NO3S MolecularWeight: 323.4503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OC

Isomeric SMILES

CCCCCC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OC

InChI

InChI=1S/C17H25NO3S/c1-3-4-6-11-14(19)18-16-15(17(20)21-2)12-9-7-5-8-10-13(12)22-16/h3-11H2,1-2H3,(H,18,19)