4-heptan-2-yl-2-(octan-2-yloxycarbonylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-heptan-2-yl-2-(octan-2-yloxycarbonylamino)thiophene-3-carboxylic acid Openeye Name: 2-(1-methylheptoxycarbonylamino)-4-(1-methylhexyl)thiophene-3-carboxylic acid CAS Name: 4-heptan-2-yl-2-[[octan-2-yloxy(oxo)methyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-heptan-2-yl-2-(octan-2-yloxycarbonylamino)thiophene-3-carboxylic acid Traditional Name: 2-(1-methylheptoxycarbonylamino)-4-(1-methylhexyl)-3-thenoic acid Formula: C21H35NO4S MolecularWeight: 397.5719

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)NC1=C(C(=CS1)C(C)CCCCC)C(=O)O

Isomeric SMILES

CCCCCCC(C)OC(=O)NC1=C(C(=CS1)C(C)CCCCC)C(=O)O

InChI

InChI=1S/C21H35NO4S/c1-5-7-9-11-13-16(4)26-21(25)22-19-18(20(23)24)17(14-27-19)15(3)12-10-8-6-2/h14-16H,5-13H2,1-4H3,(H,22,25)(H,23,24)