5-decyl-2-[2-(4-methylphenyl)ethoxycarbonylamino]thiophene-3-carboxylic acid

Systemtic Name: 5-decyl-2-[2-(4-methylphenyl)ethoxycarbonylamino]thiophene-3-carboxylic acid Openeye Name: 5-decyl-2-[2-(p-tolyl)ethoxycarbonylamino]thiophene-3-carboxylic acid CAS Name: 5-decyl-2-[[2-(4-methylphenyl)ethoxy-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-decyl-2-[2-(4-methylphenyl)ethoxycarbonylamino]thiophene-3-carboxylic acid Traditional Name: 5-decyl-2-[2-(p-tolyl)ethoxycarbonylamino]-3-thenoic acid Formula: C25H35NO4S MolecularWeight: 445.6147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCC2=CC=C(C=C2)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCC2=CC=C(C=C2)C)C(=O)O

InChI

InChI=1S/C25H35NO4S/c1-3-4-5-6-7-8-9-10-11-21-18-22(24(27)28)23(31-21)26-25(29)30-17-16-20-14-12-19(2)13-15-20/h12-15,18H,3-11,16-17H2,1-2H3,(H,26,29)(H,27,28)