O-[(2R,3S)-1,2-bis(4-methoxyphenyl)-4-oxidanylidene-3-(3-phenylpropyl)azetidin-3-yl] methylsulfanylmethanethioate

Systemtic Name: O-[(2R,3S)-1,2-bis(4-methoxyphenyl)-4-oxidanylidene-3-(3-phenylpropyl)azetidin-3-yl] methylsulfanylmethanethioate Openeye Name: O-[(2R,3S)-1,2-bis(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)azetidin-3-yl] methylsulfanylmethanethioate CAS Name: (methylthio)methanethioic acid O-[(2R,3S)-1,2-bis(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)-3-azetidinyl] ester IUPAC Name: O-[(2R,3S)-1,2-bis(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)azetidin-3-yl] methylsulfanylmethanethioate Traditional Name: (methylthio)methanethioic acid O-[(3S,4R)-2-keto-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-3-yl] ester Formula: C28H29NO4S2 MolecularWeight: 507.66416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)OC)(CCCC4=CC=CC=C4)OC(=S)SC

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@](C(=O)N2C3=CC=C(C=C3)OC)(CCCC4=CC=CC=C4)OC(=S)SC

InChI

InChI=1S/C28H29NO4S2/c1-31-23-15-11-21(12-16-23)25-28(33-27(34)35-3,19-7-10-20-8-5-4-6-9-20)26(30)29(25)22-13-17-24(32-2)18-14-22/h4-6,8-9,11-18,25H,7,10,19H2,1-3H3/t25-,28+/m1/s1