methyl 3-methyl-2-[2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-piperidin-1-ylsulfanyl-azetidin-1-yl]but-2-enoate

Systemtic Name: methyl 3-methyl-2-[2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-piperidin-1-ylsulfanyl-azetidin-1-yl]but-2-enoate Openeye Name: methyl 3-methyl-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-(1-piperidylsulfanyl)azetidin-1-yl]but-2-enoate CAS Name: 3-methyl-2-[2-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-4-(1-piperidinylthio)-1-azetidinyl]-2-butenoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-piperidin-1-ylsulfanylazetidin-1-yl]but-2-enoate Traditional Name: 2-[2-keto-3-[(2-phenoxyacetyl)amino]-4-(piperidinothio)azetidin-1-yl]-3-methyl-but-2-enoic acid methyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SN3CCCCC3)C

Isomeric SMILES

CC(=C(C(=O)OC)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SN3CCCCC3)C

InChI

InChI=1S/C22H29N3O5S/c1-15(2)19(22(28)29-3)25-20(27)18(21(25)31-24-12-8-5-9-13-24)23-17(26)14-30-16-10-6-4-7-11-16/h4,6-7,10-11,18,21H,5,8-9,12-14H2,1-3H3,(H,23,26)