ethyl 2-[[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]carbonylamino]-4-methyl-5-propanoyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]carbonylamino]-4-methyl-5-propanoyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl]amino]-4-methyl-5-propanoyl-thiophene-3-carboxylate CAS Name: 2-[[[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]-oxomethyl]amino]-4-methyl-5-(1-oxopropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl]amino]-4-methyl-5-propanoylthiophene-3-carboxylate Traditional Name: 2-[[(5S)-5-tert-butyl-4,5,6,7-tetrahydroindoxazene-3-carbonyl]amino]-4-methyl-5-propionyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C(S1)NC(=O)C2=NOC3=C2CC(CC3)C(C)(C)C)C(=O)OCC)C

Isomeric SMILES

CCC(=O)C1=C(C(=C(S1)NC(=O)C2=NOC3=C2C[C@H](CC3)C(C)(C)C)C(=O)OCC)C

InChI

InChI=1S/C23H30N2O5S/c1-7-15(26)19-12(3)17(22(28)29-8-2)21(31-19)24-20(27)18-14-11-13(23(4,5)6)9-10-16(14)30-25-18/h13H,7-11H2,1-6H3,(H,24,27)/t13-/m0/s1