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

Systemtic Name: methyl 3-ethoxy-5-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-ethoxy-5-(2-phenylbutanoylamino)benzothiophene-2-carboxylate CAS Name: 3-ethoxy-5-[(1-oxo-2-phenylbutyl)amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-ethoxy-5-(2-phenylbutanoylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-ethoxy-5-(2-phenylbutanoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)SC(=C3OCC)C(=O)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)SC(=C3OCC)C(=O)OC

InChI

InChI=1S/C22H23NO4S/c1-4-16(14-9-7-6-8-10-14)21(24)23-15-11-12-18-17(13-15)19(27-5-2)20(28-18)22(25)26-3/h6-13,16H,4-5H2,1-3H3,(H,23,24)