2-[2-(3-butan-2-yloxy-3-oxidanylidene-propyl)sulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-methyl-but-2-enoic acid

Systemtic Name: 2-[2-(3-butan-2-yloxy-3-oxidanylidene-propyl)sulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-methyl-but-2-enoic acid Openeye Name: 3-methyl-2-[2-oxo-4-(3-oxo-3-sec-butoxy-propyl)sulfanyl-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-2-enoic acid CAS Name: 2-[2-[(3-butan-2-yloxy-3-oxopropyl)thio]-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-3-methyl-2-butenoic acid IUPAC Name: 2-[2-(3-butan-2-yloxy-3-oxopropyl)sulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methylbut-2-enoic acid Traditional Name: 2-[2-keto-4-[(3-keto-3-sec-butoxy-propyl)thio]-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-2-enoic acid Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CCSC1C(C(=O)N1C(=C(C)C)C(=O)O)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCC(C)OC(=O)CCSC1C(C(=O)N1C(=C(C)C)C(=O)O)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C23H30N2O6S/c1-5-15(4)31-18(27)11-12-32-22-19(21(28)25(22)20(14(2)3)23(29)30)24-17(26)13-16-9-7-6-8-10-16/h6-10,15,19,22H,5,11-13H2,1-4H3,(H,24,26)(H,29,30)