4,5-dimethyl-2-(4-phenoxybutanoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4,5-dimethyl-2-(4-phenoxybutanoylamino)thiophene-3-carboxylic acid Openeye Name: 4,5-dimethyl-2-(4-phenoxybutanoylamino)thiophene-3-carboxylic acid CAS Name: 4,5-dimethyl-2-[(1-oxo-4-phenoxybutyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4,5-dimethyl-2-(4-phenoxybutanoylamino)thiophene-3-carboxylic acid Traditional Name: 4,5-dimethyl-2-(4-phenoxybutanoylamino)-3-thenoic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)CCCOC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)CCCOC2=CC=CC=C2)C

InChI

InChI=1S/C17H19NO4S/c1-11-12(2)23-16(15(11)17(20)21)18-14(19)9-6-10-22-13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H,18,19)(H,20,21)