methyl 2-[1-benzothiophen-3-ylcarbonyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-3-cyclohexyl-propanoate

Systemtic Name: methyl 2-[1-benzothiophen-3-ylcarbonyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-3-cyclohexyl-propanoate Openeye Name: methyl 2-[benzothiophene-3-carbonyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-3-cyclohexyl-propanoate CAS Name: 2-[[1-benzothiophen-3-yl(oxo)methyl]-(1,4-dioxaspiro[4.5]decan-8-yl)amino]-3-cyclohexylpropanoic acid methyl ester IUPAC Name: methyl 2-[1-benzothiophene-3-carbonyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-3-cyclohexylpropanoate Traditional Name: 2-[benzothiophene-3-carbonyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-3-cyclohexyl-propionic acid methyl ester Formula: C27H35NO5S MolecularWeight: 485.6355

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CCCCC1)N(C2CCC3(CC2)OCCO3)C(=O)C4=CSC5=CC=CC=C54

Isomeric SMILES

COC(=O)C(CC1CCCCC1)N(C2CCC3(CC2)OCCO3)C(=O)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C27H35NO5S/c1-31-26(30)23(17-19-7-3-2-4-8-19)28(20-11-13-27(14-12-20)32-15-16-33-27)25(29)22-18-34-24-10-6-5-9-21(22)24/h5-6,9-10,18-20,23H,2-4,7-8,11-17H2,1H3