2-[2-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-3-[2-(2-ethylphenyl)ethanoylamino]-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoic acid

Systemtic Name: 2-[2-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-3-[2-(2-ethylphenyl)ethanoylamino]-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoic acid Openeye Name: 2-[2-(3-ethoxy-3-oxo-propyl)sulfanyl-3-[[2-(2-ethylphenyl)acetyl]amino]-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoic acid CAS Name: 2-[2-[(3-ethoxy-3-oxopropyl)thio]-3-[[2-(2-ethylphenyl)-1-oxoethyl]amino]-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid IUPAC Name: 2-[2-(3-ethoxy-3-oxopropyl)sulfanyl-3-[[2-(2-ethylphenyl)acetyl]amino]-4-oxoazetidin-1-yl]-3-methylbut-2-enoic acid Traditional Name: 2-[2-[(3-ethoxy-3-keto-propyl)thio]-3-[[2-(2-ethylphenyl)acetyl]amino]-4-keto-azetidin-1-yl]-3-methyl-but-2-enoic acid Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CC(=O)NC2C(N(C2=O)C(=C(C)C)C(=O)O)SCCC(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1CC(=O)NC2C(N(C2=O)C(=C(C)C)C(=O)O)SCCC(=O)OCC

InChI

InChI=1S/C23H30N2O6S/c1-5-15-9-7-8-10-16(15)13-17(26)24-19-21(28)25(20(14(3)4)23(29)30)22(19)32-12-11-18(27)31-6-2/h7-10,19,22H,5-6,11-13H2,1-4H3,(H,24,26)(H,29,30)