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

Systemtic Name: (4-methoxyphenyl)methyl 2-[2-chloranylsulfinyl-3-(2-cyanoethanoylamino)-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: (4-methoxyphenyl)methyl 2-[2-chlorosulfinyl-3-[(2-cyanoacetyl)amino]-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-chlorosulfinyl-3-[(2-cyano-1-oxoethyl)amino]-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2-[2-chlorosulfinyl-3-[(2-cyanoacetyl)amino]-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-chlorosulfinyl-3-[(2-cyanoacetyl)amino]-4-keto-azetidin-1-yl]-3-methyl-but-3-enoic acid p-anisyl ester Formula: C19H20ClN3O6S MolecularWeight: 453.8966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=C(C=C1)OC)N2C(C(C2=O)NC(=O)CC#N)S(=O)Cl

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=C(C=C1)OC)N2C(C(C2=O)NC(=O)CC#N)S(=O)Cl

InChI

InChI=1S/C19H20ClN3O6S/c1-11(2)16(19(26)29-10-12-4-6-13(28-3)7-5-12)23-17(25)15(18(23)30(20)27)22-14(24)8-9-21/h4-7,15-16,18H,1,8,10H2,2-3H3,(H,22,24)