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

Systemtic Name: ethyl 2-[[2-[3-(methylamino)propylsulfanyl]-1,3-benzoxazol-5-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[2-[3-(methylamino)propylsulfanyl]-1,3-benzoxazole-5-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[2-[3-(methylamino)propylthio]-1,3-benzoxazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-(methylamino)propylsulfanyl]-1,3-benzoxazole-5-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[3-(methylamino)propylthio]-1,3-benzoxazole-5-carbonyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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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)SCCCNC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-3-29-22(28)19(14-16-8-5-4-6-9-16)25-21(27)17-10-11-20-18(15-17)26-23(30-20)31-13-7-12-24-2/h4-6,8-11,15,19,24H,3,7,12-14H2,1-2H3,(H,25,27)