methyl 3-[(4-pentoxyphenyl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-pentoxyphenyl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(4-pentoxybenzoyl)amino]benzothiophene-2-carboxylate CAS Name: 3-[[oxo-(4-pentoxyphenyl)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-pentoxybenzoyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-amoxybenzoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=C(SC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=C(SC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C22H23NO4S/c1-3-4-7-14-27-16-12-10-15(11-13-16)21(24)23-19-17-8-5-6-9-18(17)28-20(19)22(25)26-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,23,24)