dimethyl 3-methyl-5-(pyridin-3-ylmethylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-(pyridin-3-ylmethylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-(3-pyridylmethylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(pyridin-3-ylmethylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(3-pyridylmethylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CN=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CN=CC=C2)C(=O)OC

InChI

InChI=1S/C16H17N3O4S2/c1-9-11(14(20)22-2)13(25-12(9)15(21)23-3)19-16(24)18-8-10-5-4-6-17-7-10/h4-7H,8H2,1-3H3,(H2,18,19,24)