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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)isoxazole-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-isoxazolecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)isoxazole-3-carboxamide Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NOC(=C3)C4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NOC(=C3)C4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C20H15N3O4S/c21-9-13-12-3-1-2-4-18(12)28-20(13)22-19(24)14-8-16(27-23-14)11-5-6-15-17(7-11)26-10-25-15/h5-8H,1-4,10H2,(H,22,24)