diphenylmethanol; (diphenylmethyl) 2-[2-chloranylsulfinyl-3-[ethanoyl(phenyl)amino]-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: diphenylmethanol; (diphenylmethyl) 2-[2-chloranylsulfinyl-3-[ethanoyl(phenyl)amino]-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: benzhydryl 2-[3-(N-acetylanilino)-2-chlorosulfinyl-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate; diphenylmethanol CAS Name: 2-[3-(N-acetylanilino)-2-chlorosulfinyl-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid (diphenylmethyl) ester; diphenylmethanol IUPAC Name: benzhydryl 2-[3-(N-acetylanilino)-2-chlorosulfinyl-4-oxoazetidin-1-yl]-3-methylbut-3-enoate; diphenylmethanol Traditional Name: 2-[3-(N-acetylanilino)-2-chlorosulfinyl-4-keto-azetidin-1-yl]-3-methyl-but-3-enoic acid benzhydryl ester; diphenylmethanol Formula: C42H39ClN2O6S MolecularWeight: 735.28686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3C(C(C3=O)N(C4=CC=CC=C4)C(=O)C)S(=O)Cl.C1=CC=C(C=C1)C(C2=CC=CC=C2)O

Isomeric SMILES

CC(=C)C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3C(C(C3=O)N(C4=CC=CC=C4)C(=O)C)S(=O)Cl.C1=CC=C(C=C1)C(C2=CC=CC=C2)O

InChI

InChI=1S/C29H27ClN2O5S.C13H12O/c1-19(2)24(29(35)37-26(21-13-7-4-8-14-21)22-15-9-5-10-16-22)32-27(34)25(28(32)38(30)36)31(20(3)33)23-17-11-6-12-18-23;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h4-18,24-26,28H,1H2,2-3H3;1-10,13-14H