(4E)-4-[2-(butylamino)-2-oxidanylidene-ethylidene]-6,7-dihydro-5H-1-benzothiophene-2-carboxylic acid

Systemtic Name: (4E)-4-[2-(butylamino)-2-oxidanylidene-ethylidene]-6,7-dihydro-5H-1-benzothiophene-2-carboxylic acid Openeye Name: (4E)-4-[2-(butylamino)-2-oxo-ethylidene]-6,7-dihydro-5H-benzothiophene-2-carboxylic acid CAS Name: (4E)-4-[2-(butylamino)-2-oxoethylidene]-6,7-dihydro-5H-1-benzothiophene-2-carboxylic acid IUPAC Name: (4E)-4-[2-(butylamino)-2-oxoethylidene]-6,7-dihydro-5H-1-benzothiophene-2-carboxylic acid Traditional Name: (4E)-4-[2-(butylamino)-2-keto-ethylidene]-6,7-dihydro-5H-benzothiophene-2-carboxylic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C=C1CCCC2=C1C=C(S2)C(=O)O

Isomeric SMILES

CCCCNC(=O)/C=C/1\CCCC2=C1C=C(S2)C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-2-3-7-16-14(17)8-10-5-4-6-12-11(10)9-13(20-12)15(18)19/h8-9H,2-7H2,1H3,(H,16,17)(H,18,19)/b10-8+