5-heptoxycarbonyl-2-(heptoxycarbonylamino)-4-methyl-thiophene-3-carboxylic acid

Systemtic Name: 5-heptoxycarbonyl-2-(heptoxycarbonylamino)-4-methyl-thiophene-3-carboxylic acid Openeye Name: 5-heptoxycarbonyl-2-(heptoxycarbonylamino)-4-methyl-thiophene-3-carboxylic acid CAS Name: 5-[heptoxy(oxo)methyl]-2-[[heptoxy(oxo)methyl]amino]-4-methyl-3-thiophenecarboxylic acid IUPAC Name: 5-heptoxycarbonyl-2-(heptoxycarbonylamino)-4-methylthiophene-3-carboxylic acid Traditional Name: 5-heptoxycarbonyl-2-(heptoxycarbonylamino)-4-methyl-3-thenoic acid Formula: C22H35NO6S MolecularWeight: 441.5814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(C(=C(S1)NC(=O)OCCCCCCC)C(=O)O)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(C(=C(S1)NC(=O)OCCCCCCC)C(=O)O)C

InChI

InChI=1S/C22H35NO6S/c1-4-6-8-10-12-14-28-21(26)18-16(3)17(20(24)25)19(30-18)23-22(27)29-15-13-11-9-7-5-2/h4-15H2,1-3H3,(H,23,27)(H,24,25)