methyl 4-[2-[6-oxidanylidene-2-(3-oxidanyl-4-thiophen-2-yl-butyl)-1,2-diazinan-1-yl]ethyl]benzoate

Systemtic Name: methyl 4-[2-[6-oxidanylidene-2-(3-oxidanyl-4-thiophen-2-yl-butyl)-1,2-diazinan-1-yl]ethyl]benzoate Openeye Name: methyl 4-[2-[2-[3-hydroxy-4-(2-thienyl)butyl]-6-oxo-hexahydropyridazin-1-yl]ethyl]benzoate CAS Name: 4-[2-[2-(3-hydroxy-4-thiophen-2-ylbutyl)-6-oxo-1-diazinanyl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(3-hydroxy-4-thiophen-2-ylbutyl)-6-oxodiazinan-1-yl]ethyl]benzoate Traditional Name: 4-[2-[2-[3-hydroxy-4-(2-thienyl)butyl]-6-keto-hexahydropyridazin-1-yl]ethyl]benzoic acid methyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCN2C(=O)CCCN2CCC(CC3=CC=CS3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCN2C(=O)CCCN2CCC(CC3=CC=CS3)O

InChI

InChI=1S/C22H28N2O4S/c1-28-22(27)18-8-6-17(7-9-18)10-14-24-21(26)5-2-12-23(24)13-11-19(25)16-20-4-3-15-29-20/h3-4,6-9,15,19,25H,2,5,10-14,16H2,1H3