methyl (6R)-6-tert-butyl-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-6-tert-butyl-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-6-tert-butyl-2-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-tert-butyl-2-[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-tert-butyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-tert-butyl-2-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=C(C4=C(S3)C[C@@H](CC4)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C25H28N2O4S/c1-14-19(21(27-31-14)15-9-7-6-8-10-15)22(28)26-23-20(24(29)30-5)17-12-11-16(25(2,3)4)13-18(17)32-23/h6-10,16H,11-13H2,1-5H3,(H,26,28)/t16-/m1/s1