3-azanyl-3-[3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]propyl]hex-5-enoic acid

Systemtic Name: 3-azanyl-3-[3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]propyl]hex-5-enoic acid Openeye Name: 3-amino-3-[3-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]propyl]hex-5-enoic acid CAS Name: 3-amino-3-[3-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]propyl]-5-hexenoic acid IUPAC Name: 3-amino-3-[3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propyl]hex-5-enoic acid Traditional Name: 3-amino-3-[3-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]propyl]hex-5-enoic acid Formula: C28H30ClNO3S MolecularWeight: 496.0607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(CC(=O)O)N

Isomeric SMILES

C=CCC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(CC(=O)O)N

InChI

InChI=1S/C28H30ClNO3S/c1-2-15-28(30,19-27(31)32)16-7-10-22-13-14-25(18-26(22)29)34-24-12-6-11-23(17-24)33-20-21-8-4-3-5-9-21/h2-6,8-9,11-14,17-18H,1,7,10,15-16,19-20,30H2,(H,31,32)