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

Systemtic Name: ethyl 2-(2-cyclohexylsulfanylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(2-cyclohexylsulfanylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-(cyclohexylthio)-1-oxopropyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-cyclohexylsulfanylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[2-(cyclohexylthio)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H31NO3S2 MolecularWeight: 409.60574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)SC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)SC3CCCCC3

InChI

InChI=1S/C21H31NO3S2/c1-3-25-21(24)18-16-12-8-5-9-13-17(16)27-20(18)22-19(23)14(2)26-15-10-6-4-7-11-15/h14-15H,3-13H2,1-2H3,(H,22,23)