N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(2,5-dimethoxyphenyl)isoxazole-3-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2,5-dimethoxyphenyl)-3-isoxazolecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(2,5-dimethoxyphenyl)isoxazole-3-carboxamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC(=NO2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC(=NO2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

InChI

InChI=1S/C21H21N3O5S/c1-27-11-7-8-15(28-2)13(9-11)16-10-14(24-29-16)20(26)23-21-18(19(22)25)12-5-3-4-6-17(12)30-21/h7-10H,3-6H2,1-2H3,(H2,22,25)(H,23,26)