methyl 5-[(2R,3R,4S)-3-bromanyl-4-[(phenylmethyl)amino]thiolan-2-yl]pentanoate

Systemtic Name: methyl 5-[(2R,3R,4S)-3-bromanyl-4-[(phenylmethyl)amino]thiolan-2-yl]pentanoate Openeye Name: methyl 5-[(2R,3R,4S)-4-(benzylamino)-3-bromo-tetrahydrothiophen-2-yl]pentanoate CAS Name: 5-[(2R,3R,4S)-3-bromo-4-[(phenylmethyl)amino]-2-thiolanyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[(2R,3R,4S)-4-(benzylamino)-3-bromothiolan-2-yl]pentanoate Traditional Name: 5-[(2R,3R,4S)-4-(benzylamino)-3-bromo-tetrahydrothiophen-2-yl]valeric acid methyl ester Formula: C17H24BrNO2S MolecularWeight: 386.34696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1C(C(CS1)NCC2=CC=CC=C2)Br

Isomeric SMILES

COC(=O)CCCC[C@@H]1[C@@H]([C@H](CS1)NCC2=CC=CC=C2)Br

InChI

InChI=1S/C17H24BrNO2S/c1-21-16(20)10-6-5-9-15-17(18)14(12-22-15)19-11-13-7-3-2-4-8-13/h2-4,7-8,14-15,17,19H,5-6,9-12H2,1H3/t14-,15+,17+/m0/s1