5-decyl-2-(4-phenylbutoxycarbonylamino)thiophene-3-carboxylic acid

Systemtic Name: 5-decyl-2-(4-phenylbutoxycarbonylamino)thiophene-3-carboxylic acid Openeye Name: 5-decyl-2-(4-phenylbutoxycarbonylamino)thiophene-3-carboxylic acid CAS Name: 5-decyl-2-[[oxo(4-phenylbutoxy)methyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-decyl-2-(4-phenylbutoxycarbonylamino)thiophene-3-carboxylic acid Traditional Name: 5-decyl-2-(4-phenylbutoxycarbonylamino)-3-thenoic acid Formula: C26H37NO4S MolecularWeight: 459.64128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C26H37NO4S/c1-2-3-4-5-6-7-8-12-18-22-20-23(25(28)29)24(32-22)27-26(30)31-19-14-13-17-21-15-10-9-11-16-21/h9-11,15-16,20H,2-8,12-14,17-19H2,1H3,(H,27,30)(H,28,29)