methyl 5-[(3R)-3-[carbonazidoyl-(phenylmethyl)amino]-2,3-dihydrothiophen-5-yl]pentanoate

Systemtic Name: methyl 5-[(3R)-3-[carbonazidoyl-(phenylmethyl)amino]-2,3-dihydrothiophen-5-yl]pentanoate Openeye Name: methyl 5-[(3R)-3-[benzyl(carbonazidoyl)amino]-2,3-dihydrothiophen-5-yl]pentanoate CAS Name: 5-[(3R)-3-[carbonazidoyl-(phenylmethyl)amino]-2,3-dihydrothiophen-5-yl]pentanoic acid methyl ester IUPAC Name: methyl 5-[(3R)-3-[benzyl(carbonazidoyl)amino]-2,3-dihydrothiophen-5-yl]pentanoate Traditional Name: 5-[(3R)-3-[benzyl(carbonazidoyl)amino]-2,3-dihydrothiophen-5-yl]valeric acid methyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=CC(CS1)N(CC2=CC=CC=C2)C(=O)N=[N+]=[N-]

Isomeric SMILES

COC(=O)CCCCC1=C[C@H](CS1)N(CC2=CC=CC=C2)C(=O)N=[N+]=[N-]

InChI

InChI=1S/C18H22N4O3S/c1-25-17(23)10-6-5-9-16-11-15(13-26-16)22(18(24)20-21-19)12-14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12-13H2,1H3/t15-/m1/s1