methyl 2-[(1R,3S)-3-[(4-methoxyphenyl)amino]-1-phenyl-hex-5-enyl]sulfanylethanoate

Systemtic Name: methyl 2-[(1R,3S)-3-[(4-methoxyphenyl)amino]-1-phenyl-hex-5-enyl]sulfanylethanoate Openeye Name: methyl 2-[(1R,3S)-3-(4-methoxyanilino)-1-phenyl-hex-5-enyl]sulfanylacetate CAS Name: 2-[[(1R,3S)-3-(4-methoxyanilino)-1-phenylhex-5-enyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(1R,3S)-3-(4-methoxyanilino)-1-phenylhex-5-enyl]sulfanylacetate Traditional Name: 2-[[(1R,3S)-3-(p-anisidino)-1-phenyl-hex-5-enyl]thio]acetic acid methyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(CC=C)CC(C2=CC=CC=C2)SCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N[C@@H](CC=C)C[C@H](C2=CC=CC=C2)SCC(=O)OC

InChI

InChI=1S/C22H27NO3S/c1-4-8-19(23-18-11-13-20(25-2)14-12-18)15-21(27-16-22(24)26-3)17-9-6-5-7-10-17/h4-7,9-14,19,21,23H,1,8,15-16H2,2-3H3/t19-,21+/m0/s1