methyl 2-[3-butylsulfanyl-1-(4-methoxyphenyl)-2-oxidanylidene-4-phenyl-azetidin-3-yl]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[3-butylsulfanyl-1-(4-methoxyphenyl)-2-oxidanylidene-4-phenyl-azetidin-3-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[3-butylsulfanyl-1-(4-methoxyphenyl)-2-oxo-4-phenyl-azetidin-3-yl]-2-phenyl-acetate CAS Name: 2-[3-(butylthio)-1-(4-methoxyphenyl)-2-oxo-4-phenyl-3-azetidinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[3-butylsulfanyl-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylacetate Traditional Name: 2-[3-(butylthio)-2-keto-1-(4-methoxyphenyl)-4-phenyl-azetidin-3-yl]-2-phenyl-acetic acid methyl ester Formula: C29H31NO4S MolecularWeight: 489.62574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1(C(N(C1=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C(C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCCCSC1(C(N(C1=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C(C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C29H31NO4S/c1-4-5-20-35-29(25(27(31)34-3)21-12-8-6-9-13-21)26(22-14-10-7-11-15-22)30(28(29)32)23-16-18-24(33-2)19-17-23/h6-19,25-26H,4-5,20H2,1-3H3