ethyl 2-[[2,6-di(propan-2-yl)phenyl]-hexanoyl-amino]sulfanyl-1,3-benzoxazole-7-carboxylate

Systemtic Name: ethyl 2-[[2,6-di(propan-2-yl)phenyl]-hexanoyl-amino]sulfanyl-1,3-benzoxazole-7-carboxylate Openeye Name: ethyl 2-(N-hexanoyl-2,6-diisopropyl-anilino)sulfanyl-1,3-benzoxazole-7-carboxylate CAS Name: 2-[[N-(1-oxohexyl)-2,6-di(propan-2-yl)anilino]thio]-1,3-benzoxazole-7-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[N-hexanoyl-2,6-di(propan-2-yl)anilino]sulfanyl-1,3-benzoxazole-7-carboxylate Traditional Name: 2-[(N-caproyl-2,6-diisopropyl-anilino)thio]-1,3-benzoxazole-7-carboxylic acid ethyl ester Formula: C28H36N2O4S MolecularWeight: 496.66144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(C1=C(C=CC=C1C(C)C)C(C)C)SC2=NC3=CC=CC(=C3O2)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)N(C1=C(C=CC=C1C(C)C)C(C)C)SC2=NC3=CC=CC(=C3O2)C(=O)OCC

InChI

InChI=1S/C28H36N2O4S/c1-7-9-10-17-24(31)30(25-20(18(3)4)13-11-14-21(25)19(5)6)35-28-29-23-16-12-15-22(26(23)34-28)27(32)33-8-2/h11-16,18-19H,7-10,17H2,1-6H3