N-(3-chloranyl-4-methyl-phenyl)-5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophene-2-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophene-2-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenecarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carboxamide Formula: C17H16ClNO2S MolecularWeight: 333.83244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(S2)C#CC(C)(C)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(S2)C#CC(C)(C)O)Cl

InChI

InChI=1S/C17H16ClNO2S/c1-11-4-5-12(10-14(11)18)19-16(20)15-7-6-13(22-15)8-9-17(2,3)21/h4-7,10,21H,1-3H3,(H,19,20)