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

Systemtic Name: dimethyl 2-[[2,6-di(propan-2-yl)phenyl]-hexanoyl-amino]sulfanyl-1,3-benzoxazole-6,7-dicarboxylate Openeye Name: dimethyl 2-(N-hexanoyl-2,6-diisopropyl-anilino)sulfanyl-1,3-benzoxazole-6,7-dicarboxylate CAS Name: 2-[[N-(1-oxohexyl)-2,6-di(propan-2-yl)anilino]thio]-1,3-benzoxazole-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[N-hexanoyl-2,6-di(propan-2-yl)anilino]sulfanyl-1,3-benzoxazole-6,7-dicarboxylate Traditional Name: 2-[(N-caproyl-2,6-diisopropyl-anilino)thio]-1,3-benzoxazole-6,7-dicarboxylic acid dimethyl ester Formula: C29H36N2O6S MolecularWeight: 540.67094

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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=C(O2)C(=C(C=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCC(=O)N(C1=C(C=CC=C1C(C)C)C(C)C)SC2=NC3=C(O2)C(=C(C=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C29H36N2O6S/c1-8-9-10-14-23(32)31(25-19(17(2)3)12-11-13-20(25)18(4)5)38-29-30-22-16-15-21(27(33)35-6)24(26(22)37-29)28(34)36-7/h11-13,15-18H,8-10,14H2,1-7H3