3-methyl-5-(octan-2-yloxycarbonylamino)thiophene-2,4-dicarboxylic acid

Systemtic Name: 3-methyl-5-(octan-2-yloxycarbonylamino)thiophene-2,4-dicarboxylic acid Openeye Name: 3-methyl-5-(1-methylheptoxycarbonylamino)thiophene-2,4-dicarboxylic acid CAS Name: 3-methyl-5-[[octan-2-yloxy(oxo)methyl]amino]thiophene-2,4-dicarboxylic acid IUPAC Name: 3-methyl-5-(octan-2-yloxycarbonylamino)thiophene-2,4-dicarboxylic acid Traditional Name: 3-methyl-5-(1-methylheptoxycarbonylamino)thiophene-2,4-dicarboxylic acid Formula: C16H23NO6S MolecularWeight: 357.42192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)NC1=C(C(=C(S1)C(=O)O)C)C(=O)O

Isomeric SMILES

CCCCCCC(C)OC(=O)NC1=C(C(=C(S1)C(=O)O)C)C(=O)O

InChI

InChI=1S/C16H23NO6S/c1-4-5-6-7-8-9(2)23-16(22)17-13-11(14(18)19)10(3)12(24-13)15(20)21/h9H,4-8H2,1-3H3,(H,17,22)(H,18,19)(H,20,21)