methyl 3-[(1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)sulfonyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)sulfonyl]thiophene-2-carboxylate Openeye Name: methyl 3-[(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)sulfonyl]thiophene-2-carboxylate CAS Name: 3-[(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)sulfonyl]thiophene-2-carboxylate Traditional Name: 3-[(1-keto-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)sulfonyl]thiophene-2-carboxylic acid methyl ester Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4

InChI

InChI=1S/C19H21N3O5S2/c1-27-17(23)16-15(7-12-28-16)29(25,26)21-10-8-19(9-11-21)18(24)20-13-22(19)14-5-3-2-4-6-14/h2-7,12H,8-11,13H2,1H3,(H,20,24)