3-methyl-2-[2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-sulfanyl-azetidin-1-yl]but-3-enoic acid

Systemtic Name: 3-methyl-2-[2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-sulfanyl-azetidin-1-yl]but-3-enoic acid Openeye Name: 3-methyl-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-sulfanyl-azetidin-1-yl]but-3-enoic acid CAS Name: 2-[2-mercapto-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-methyl-3-butenoic acid IUPAC Name: 3-methyl-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-sulfanylazetidin-1-yl]but-3-enoic acid Traditional Name: 2-[2-keto-4-mercapto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)O)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)S

Isomeric SMILES

CC(=C)C(C(=O)O)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)S

InChI

InChI=1S/C16H18N2O5S/c1-9(2)13(16(21)22)18-14(20)12(15(18)24)17-11(19)8-23-10-6-4-3-5-7-10/h3-7,12-13,15,24H,1,8H2,2H3,(H,17,19)(H,21,22)