ethyl 2-[[2-[6-(methylamino)hexylsulfanyl]-1,3-benzoxazol-5-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[2-[6-(methylamino)hexylsulfanyl]-1,3-benzoxazol-5-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[2-[6-(methylamino)hexylsulfanyl]-1,3-benzoxazole-5-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[2-[6-(methylamino)hexylthio]-1,3-benzoxazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[6-(methylamino)hexylsulfanyl]-1,3-benzoxazole-5-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[6-(methylamino)hexylthio]-1,3-benzoxazole-5-carbonyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)OC(=N3)SCCCCCCNC

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)OC(=N3)SCCCCCCNC

InChI

InChI=1S/C26H33N3O4S/c1-3-32-25(31)22(17-19-11-7-6-8-12-19)28-24(30)20-13-14-23-21(18-20)29-26(33-23)34-16-10-5-4-9-15-27-2/h6-8,11-14,18,22,27H,3-5,9-10,15-17H2,1-2H3,(H,28,30)