methyl 2-[[[1-(1-benzothiophen-2-ylcarbonylamino)cyclohexyl]-oxidanyl-methyl]-phenyl-amino]ethanoate

Systemtic Name: methyl 2-[[[1-(1-benzothiophen-2-ylcarbonylamino)cyclohexyl]-oxidanyl-methyl]-phenyl-amino]ethanoate Openeye Name: methyl 2-(N-[[1-(benzothiophene-2-carbonylamino)cyclohexyl]-hydroxy-methyl]anilino)acetate CAS Name: 2-(N-[[1-[[1-benzothiophen-2-yl(oxo)methyl]amino]cyclohexyl]-hydroxymethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[[1-(1-benzothiophene-2-carbonylamino)cyclohexyl]-hydroxymethyl]anilino)acetate Traditional Name: 2-(N-[[1-(benzothiophene-2-carbonylamino)cyclohexyl]-hydroxy-methyl]anilino)acetic acid methyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4S/c1-31-22(28)17-27(19-11-4-2-5-12-19)24(30)25(14-8-3-9-15-25)26-23(29)21-16-18-10-6-7-13-20(18)32-21/h2,4-7,10-13,16,24,30H,3,8-9,14-15,17H2,1H3,(H,26,29)