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

Systemtic Name: dimethyl 3-methyl-5-(pyridin-3-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-(3-pyridylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(pyridin-3-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(3-pyridylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C15H15N3O4S2 MolecularWeight: 365.4273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN=CC=C2)C(=O)OC

InChI

InChI=1S/C15H15N3O4S2/c1-8-10(13(19)21-2)12(24-11(8)14(20)22-3)18-15(23)17-9-5-4-6-16-7-9/h4-7H,1-3H3,(H2,17,18,23)