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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(3,4-dimethylphenyl)isoxazole-3-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethylphenyl)-3-isoxazolecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(3,4-dimethylphenyl)isoxazole-3-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C

InChI

InChI=1S/C21H21N3O3S/c1-11-7-8-13(9-12(11)2)16-10-15(24-27-16)20(26)23-21-18(19(22)25)14-5-3-4-6-17(14)28-21/h7-10H,3-6H2,1-2H3,(H2,22,25)(H,23,26)