methyl 4-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]-3-phenyl-but-3-enyl]benzoate

Systemtic Name: methyl 4-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]-3-phenyl-but-3-enyl]benzoate Openeye Name: methyl 4-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]-3-phenyl-but-3-enyl]benzoate CAS Name: 4-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]-3-phenylbut-3-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]-3-phenylbut-3-enyl]benzoate Traditional Name: 4-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]-3-phenyl-but-3-enyl]benzoic acid methyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)NC(CC(=C)C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)[S@@](=O)N[C@@H](CC(=C)C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H27NO3S/c1-16(17-9-7-6-8-10-17)15-20(23-27(25)22(2,3)4)18-11-13-19(14-12-18)21(24)26-5/h6-14,20,23H,1,15H2,2-5H3/t20-,27+/m0/s1