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

Systemtic Name: 3-methyl-5-(octylsulfanylcarbamoylamino)thiophene-2,4-dicarboxylic acid Openeye Name: 3-methyl-5-(octylsulfanylcarbamoylamino)thiophene-2,4-dicarboxylic acid CAS Name: 3-methyl-5-[[[(octylthio)amino]-oxomethyl]amino]thiophene-2,4-dicarboxylic acid IUPAC Name: 3-methyl-5-(octylsulfanylcarbamoylamino)thiophene-2,4-dicarboxylic acid Traditional Name: 3-methyl-5-[(octylthio)carbamoylamino]thiophene-2,4-dicarboxylic acid Formula: C16H24N2O5S2 MolecularWeight: 388.50216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSNC(=O)NC1=C(C(=C(S1)C(=O)O)C)C(=O)O

Isomeric SMILES

CCCCCCCCSNC(=O)NC1=C(C(=C(S1)C(=O)O)C)C(=O)O

InChI

InChI=1S/C16H24N2O5S2/c1-3-4-5-6-7-8-9-24-18-16(23)17-13-11(14(19)20)10(2)12(25-13)15(21)22/h3-9H2,1-2H3,(H,19,20)(H,21,22)(H2,17,18,23)