methyl (2S)-2-[[1-(1-benzothiophen-2-ylcarbonylamino)cyclohexyl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[1-(1-benzothiophen-2-ylcarbonylamino)cyclohexyl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[1-(benzothiophene-2-carbonylamino)cyclohexanecarbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[1-[[1-benzothiophen-2-yl(oxo)methyl]amino]cyclohexyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(1-benzothiophene-2-carbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[1-(benzothiophene-2-carbonylamino)cyclohexanecarbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)C2(CCCCC2)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC(=O)C2(CCCCC2)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C25H26N2O4S/c1-31-23(29)21(17-10-4-2-5-11-17)26-24(30)25(14-8-3-9-15-25)27-22(28)20-16-18-12-6-7-13-19(18)32-20/h2,4-7,10-13,16,21H,3,8-9,14-15H2,1H3,(H,26,30)(H,27,28)/t21-/m0/s1