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

Systemtic Name: methyl 3-methyl-2-[2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-(quinolin-2-yldisulfanyl)azetidin-1-yl]but-3-enoate Openeye Name: methyl 3-methyl-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-(2-quinolyldisulfanyl)azetidin-1-yl]but-3-enoate CAS Name: 3-methyl-2-[2-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-4-(2-quinolinyldisulfanyl)-1-azetidinyl]-3-butenoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-(quinolin-2-yldisulfanyl)azetidin-1-yl]but-3-enoate Traditional Name: 2-[2-keto-3-[(2-phenoxyacetyl)amino]-4-(2-quinolyldisulfanyl)azetidin-1-yl]-3-methyl-but-3-enoic acid methyl ester Formula: C26H25N3O5S2 MolecularWeight: 523.6238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(=C)C(C(=O)OC)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H25N3O5S2/c1-16(2)23(26(32)33-3)29-24(31)22(28-20(30)15-34-18-10-5-4-6-11-18)25(29)36-35-21-14-13-17-9-7-8-12-19(17)27-21/h4-14,22-23,25H,1,15H2,2-3H3,(H,28,30)