ethyl 4-[(1-thiophen-2-ylcarbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(1-thiophen-2-ylcarbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(thiophene-2-carbonyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-[oxo(thiophen-2-yl)methyl]-4-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(thiophene-2-carbonyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-thenoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carbonyl]amino]benzoic acid ethyl ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCC3(CC2)N(CCS3)C(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCC3(CC2)N(CCS3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H25N3O4S2/c1-2-29-20(27)16-5-7-17(8-6-16)23-21(28)24-11-9-22(10-12-24)25(13-15-31-22)19(26)18-4-3-14-30-18/h3-8,14H,2,9-13,15H2,1H3,(H,23,28)