(4-methoxyphenyl)methyl 2-[2-chloranylsulfinyl-2-(ethanethioylamino)-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: (4-methoxyphenyl)methyl 2-[2-chloranylsulfinyl-2-(ethanethioylamino)-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: (4-methoxyphenyl)methyl 2-[2-chlorosulfinyl-2-(ethanethioylamino)-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-chlorosulfinyl-4-oxo-2-(1-sulfanylideneethylamino)-1-azetidinyl]-3-methyl-3-butenoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2-[2-chlorosulfinyl-2-(ethanethioylamino)-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-chlorosulfinyl-4-keto-2-(thioacetylamino)azetidin-1-yl]-3-methyl-but-3-enoic acid p-anisyl ester Formula: C18H21ClN2O5S2 MolecularWeight: 444.95274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=C(C=C1)OC)N2C(=O)CC2(NC(=S)C)S(=O)Cl

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=C(C=C1)OC)N2C(=O)CC2(NC(=S)C)S(=O)Cl

InChI

InChI=1S/C18H21ClN2O5S2/c1-11(2)16(17(23)26-10-13-5-7-14(25-4)8-6-13)21-15(22)9-18(21,28(19)24)20-12(3)27/h5-8,16H,1,9-10H2,2-4H3,(H,20,27)