methyl 2-(3-cyclohexylsulfanylpropanoylamino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(3-cyclohexylsulfanylpropanoylamino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(3-cyclohexylsulfanylpropanoylamino)-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(cyclohexylthio)-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-cyclohexylsulfanylpropanoylamino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(cyclohexylthio)propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H31NO3S2 MolecularWeight: 457.64854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4CCCCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4CCCCC4

InChI

InChI=1S/C25H31NO3S2/c1-29-25(28)23-20-13-12-18(17-8-4-2-5-9-17)16-21(20)31-24(23)26-22(27)14-15-30-19-10-6-3-7-11-19/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3,(H,26,27)