5-(4,4-dimethylpentan-2-yl)-2-(octoxycarbonylamino)thiophene-3-carboxylic acid

Systemtic Name: 5-(4,4-dimethylpentan-2-yl)-2-(octoxycarbonylamino)thiophene-3-carboxylic acid Openeye Name: 2-(octoxycarbonylamino)-5-(1,3,3-trimethylbutyl)thiophene-3-carboxylic acid CAS Name: 5-(4,4-dimethylpentan-2-yl)-2-[[octoxy(oxo)methyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-(4,4-dimethylpentan-2-yl)-2-(octoxycarbonylamino)thiophene-3-carboxylic acid Traditional Name: 2-(octoxycarbonylamino)-5-(1,3,3-trimethylbutyl)-3-thenoic acid Formula: C21H35NO4S MolecularWeight: 397.5719

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=C(C=C(S1)C(C)CC(C)(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)NC1=C(C=C(S1)C(C)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C21H35NO4S/c1-6-7-8-9-10-11-12-26-20(25)22-18-16(19(23)24)13-17(27-18)15(2)14-21(3,4)5/h13,15H,6-12,14H2,1-5H3,(H,22,25)(H,23,24)