2-[1-methyl-2-(2-methylpent-1-en-3-ylamino)sulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-methyl-2-(2-methylpent-1-en-3-ylamino)sulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-ium-1-yl]ethanoate Openeye Name: 2-[2-[(1-ethyl-2-methyl-allyl)amino]sulfanyl-1-methyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-ium-1-yl]acetate CAS Name: 2-[1-methyl-2-[(2-methylpent-1-en-3-ylamino)thio]-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidin-1-iumyl]acetate IUPAC Name: 2-[1-methyl-2-(2-methylpent-1-en-3-ylamino)sulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-ium-1-yl]acetate Traditional Name: 2-[2-[[(1-ethyl-2-methyl-allyl)amino]thio]-4-keto-1-methyl-3-[(2-phenoxyacetyl)amino]azetidin-1-ium-1-yl]acetate Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=C)C)NSC1C(C(=O)[N+]1(C)CC(=O)[O-])NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCC(C(=C)C)NSC1C(C(=O)[N+]1(C)CC(=O)[O-])NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O5S/c1-5-15(13(2)3)22-29-20-18(19(27)23(20,4)11-17(25)26)21-16(24)12-28-14-9-7-6-8-10-14/h6-10,15,18,20,22H,2,5,11-12H2,1,3-4H3,(H-,21,24,25,26)