3-[4-(3-methylbutanoylamino)phenoxy]thiophene-2-carboxylate

Systemtic Name: 3-[4-(3-methylbutanoylamino)phenoxy]thiophene-2-carboxylate Openeye Name: 3-[4-(3-methylbutanoylamino)phenoxy]thiophene-2-carboxylate CAS Name: 3-[4-[(3-methyl-1-oxobutyl)amino]phenoxy]-2-thiophenecarboxylate IUPAC Name: 3-[4-(3-methylbutanoylamino)phenoxy]thiophene-2-carboxylate Traditional Name: 3-[4-(isovalerylamino)phenoxy]-2-thenoate Formula: C16H16NO4S- MolecularWeight: 318.36754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)OC2=C(SC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)OC2=C(SC=C2)C(=O)[O-]

InChI

InChI=1S/C16H17NO4S/c1-10(2)9-14(18)17-11-3-5-12(6-4-11)21-13-7-8-22-15(13)16(19)20/h3-8,10H,9H2,1-2H3,(H,17,18)(H,19,20)/p-1