methyl 3-ethoxy-5-(3-methylbutanoylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-ethoxy-5-(3-methylbutanoylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-ethoxy-5-(3-methylbutanoylamino)benzothiophene-2-carboxylate CAS Name: 3-ethoxy-5-[(3-methyl-1-oxobutyl)amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-ethoxy-5-(3-methylbutanoylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-ethoxy-5-(isovalerylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)CC(C)C)C(=O)OC

Isomeric SMILES

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)CC(C)C)C(=O)OC

InChI

InChI=1S/C17H21NO4S/c1-5-22-15-12-9-11(18-14(19)8-10(2)3)6-7-13(12)23-16(15)17(20)21-4/h6-7,9-10H,5,8H2,1-4H3,(H,18,19)