N-[(6R)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(4-bromophenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(6R)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(4-bromophenyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]isoxazole-3-carboxamide CAS Name: 5-(4-bromophenyl)-N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]isoxazole-3-carboxamide Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H18BrN3O3S/c1-10-2-7-13-16(8-10)28-20(17(13)18(22)25)23-19(26)14-9-15(27-24-14)11-3-5-12(21)6-4-11/h3-6,9-10H,2,7-8H2,1H3,(H2,22,25)(H,23,26)/t10-/m1/s1