5-decyl-2-(3-phenylpropoxycarbonylamino)thiophene-3-carboxylic acid

Systemtic Name: 5-decyl-2-(3-phenylpropoxycarbonylamino)thiophene-3-carboxylic acid Openeye Name: 5-decyl-2-(3-phenylpropoxycarbonylamino)thiophene-3-carboxylic acid CAS Name: 5-decyl-2-[[oxo(3-phenylpropoxy)methyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-decyl-2-(3-phenylpropoxycarbonylamino)thiophene-3-carboxylic acid Traditional Name: 5-decyl-2-(3-phenylpropoxycarbonylamino)-3-thenoic acid Formula: C25H35NO4S MolecularWeight: 445.6147

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H35NO4S/c1-2-3-4-5-6-7-8-12-17-21-19-22(24(27)28)23(31-21)26-25(29)30-18-13-16-20-14-10-9-11-15-20/h9-11,14-15,19H,2-8,12-13,16-18H2,1H3,(H,26,29)(H,27,28)