2-(3-cyclohexylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-(3-cyclohexylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-(3-cyclohexylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-cyclohexyl-1-oxopropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-(3-cyclohexylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(3-cyclohexylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C18H24NO3S- MolecularWeight: 334.45306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)[O-]

InChI

InChI=1S/C18H25NO3S/c20-15(11-10-12-6-2-1-3-7-12)19-17-16(18(21)22)13-8-4-5-9-14(13)23-17/h12H,1-11H2,(H,19,20)(H,21,22)/p-1