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

Systemtic Name: methyl 3-[2-(3-methylbutanoylamino)phenoxy]thiophene-2-carboxylate Openeye Name: methyl 3-[2-(3-methylbutanoylamino)phenoxy]thiophene-2-carboxylate CAS Name: 3-[2-[(3-methyl-1-oxobutyl)amino]phenoxy]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(3-methylbutanoylamino)phenoxy]thiophene-2-carboxylate Traditional Name: 3-[2-(isovalerylamino)phenoxy]thiophene-2-carboxylic acid methyl ester Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=CC=C1OC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=CC=C1OC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C17H19NO4S/c1-11(2)10-15(19)18-12-6-4-5-7-13(12)22-14-8-9-23-16(14)17(20)21-3/h4-9,11H,10H2,1-3H3,(H,18,19)