methyl 4-(4-cyclohexylphenyl)-2-[(4-pentoxyphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-cyclohexylphenyl)-2-[(4-pentoxyphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-cyclohexylphenyl)-2-[(4-pentoxybenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-cyclohexylphenyl)-2-[[oxo-(4-pentoxyphenyl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-cyclohexylphenyl)-2-[(4-pentoxybenzoyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(4-amoxybenzoyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C30H35NO4S MolecularWeight: 505.6682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C4CCCCC4)C(=O)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C4CCCCC4)C(=O)OC

InChI

InChI=1S/C30H35NO4S/c1-3-4-8-19-35-25-17-15-24(16-18-25)28(32)31-29-27(30(33)34-2)26(20-36-29)23-13-11-22(12-14-23)21-9-6-5-7-10-21/h11-18,20-21H,3-10,19H2,1-2H3,(H,31,32)