2-(dimethylcarbamoylamino)-4-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxylic acid

Systemtic Name: 2-(dimethylcarbamoylamino)-4-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxylic acid Openeye Name: 2-(dimethylcarbamoylamino)-4-(4-pyridylmethylsulfanyl)thiophene-3-carboxylic acid CAS Name: 2-[[dimethylamino(oxo)methyl]amino]-4-(pyridin-4-ylmethylthio)-3-thiophenecarboxylic acid IUPAC Name: 2-(dimethylcarbamoylamino)-4-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxylic acid Traditional Name: 2-(dimethylcarbamoylamino)-4-(4-pyridylmethylthio)-3-thenoic acid Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=C(C(=CS1)SCC2=CC=NC=C2)C(=O)O

Isomeric SMILES

CN(C)C(=O)NC1=C(C(=CS1)SCC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C14H15N3O3S2/c1-17(2)14(20)16-12-11(13(18)19)10(8-22-12)21-7-9-3-5-15-6-4-9/h3-6,8H,7H2,1-2H3,(H,16,20)(H,18,19)