2-[(4-butylphenyl)methoxycarbonylamino]-5-decyl-thiophene-3-carboxylic acid

Systemtic Name: 2-[(4-butylphenyl)methoxycarbonylamino]-5-decyl-thiophene-3-carboxylic acid Openeye Name: 2-[(4-butylphenyl)methoxycarbonylamino]-5-decyl-thiophene-3-carboxylic acid CAS Name: 2-[[(4-butylphenyl)methoxy-oxomethyl]amino]-5-decyl-3-thiophenecarboxylic acid IUPAC Name: 2-[(4-butylphenyl)methoxycarbonylamino]-5-decylthiophene-3-carboxylic acid Traditional Name: 2-[(4-butylbenzyl)oxycarbonylamino]-5-decyl-3-thenoic acid Formula: C27H39NO4S MolecularWeight: 473.66786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCC2=CC=C(C=C2)CCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCC2=CC=C(C=C2)CCCC)C(=O)O

InChI

InChI=1S/C27H39NO4S/c1-3-5-7-8-9-10-11-12-14-23-19-24(26(29)30)25(33-23)28-27(31)32-20-22-17-15-21(16-18-22)13-6-4-2/h15-19H,3-14,20H2,1-2H3,(H,28,31)(H,29,30)