6-[[3-[5-(1-benzothiophen-2-yl)-1,3-benzoxazol-2-yl]-4-methoxy-phenyl]carbamoylamino]hexanoic acid

Systemtic Name: 6-[[3-[5-(1-benzothiophen-2-yl)-1,3-benzoxazol-2-yl]-4-methoxy-phenyl]carbamoylamino]hexanoic acid Openeye Name: 6-[[3-[5-(benzothiophen-2-yl)-1,3-benzoxazol-2-yl]-4-methoxy-phenyl]carbamoylamino]hexanoic acid CAS Name: 6-[[[3-[5-(1-benzothiophen-2-yl)-1,3-benzoxazol-2-yl]-4-methoxyanilino]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[3-[5-(1-benzothiophen-2-yl)-1,3-benzoxazol-2-yl]-4-methoxyphenyl]carbamoylamino]hexanoic acid Traditional Name: 6-[[3-[5-(benzothiophen-2-yl)-1,3-benzoxazol-2-yl]-4-methoxy-phenyl]carbamoylamino]hexanoic acid Formula: C29H27N3O5S MolecularWeight: 529.60678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)NCCCCCC(=O)O)C2=NC3=C(O2)C=CC(=C3)C4=CC5=CC=CC=C5S4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)NCCCCCC(=O)O)C2=NC3=C(O2)C=CC(=C3)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C29H27N3O5S/c1-36-23-13-11-20(31-29(35)30-14-6-2-3-9-27(33)34)17-21(23)28-32-22-15-19(10-12-24(22)37-28)26-16-18-7-4-5-8-25(18)38-26/h4-5,7-8,10-13,15-17H,2-3,6,9,14H2,1H3,(H,33,34)(H2,30,31,35)