tert-butyl 2-[2-chloranylsulfinyl-3-[2-(3-ethoxyphenyl)ethanoylamino]-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: tert-butyl 2-[2-chloranylsulfinyl-3-[2-(3-ethoxyphenyl)ethanoylamino]-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: tert-butyl 2-[2-chlorosulfinyl-3-[[2-(3-ethoxyphenyl)acetyl]amino]-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-chlorosulfinyl-3-[[2-(3-ethoxyphenyl)-1-oxoethyl]amino]-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-chlorosulfinyl-3-[[2-(3-ethoxyphenyl)acetyl]amino]-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-chlorosulfinyl-4-keto-3-[(2-m-phenetylacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid tert-butyl ester Formula: C22H29ClN2O6S MolecularWeight: 484.99346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CC(=O)NC2C(N(C2=O)C(C(=C)C)C(=O)OC(C)(C)C)S(=O)Cl

Isomeric SMILES

CCOC1=CC=CC(=C1)CC(=O)NC2C(N(C2=O)C(C(=C)C)C(=O)OC(C)(C)C)S(=O)Cl

InChI

InChI=1S/C22H29ClN2O6S/c1-7-30-15-10-8-9-14(11-15)12-16(26)24-17-19(27)25(20(17)32(23)29)18(13(2)3)21(28)31-22(4,5)6/h8-11,17-18,20H,2,7,12H2,1,3-6H3,(H,24,26)