ethyl 2-(1H-pyrrol-2-ylcarbothioylamino)pyridine-3-carboxylate

Systemtic Name: ethyl 2-(1H-pyrrol-2-ylcarbothioylamino)pyridine-3-carboxylate Openeye Name: ethyl 2-(1H-pyrrole-2-carbothioylamino)pyridine-3-carboxylate CAS Name: 2-[[1H-pyrrol-2-yl(sulfanylidene)methyl]amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1H-pyrrole-2-carbothioylamino)pyridine-3-carboxylate Traditional Name: 2-(1H-pyrrole-2-carbothioylamino)nicotinic acid ethyl ester Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)NC(=S)C2=CC=CN2

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)NC(=S)C2=CC=CN2

InChI

InChI=1S/C13H13N3O2S/c1-2-18-13(17)9-5-3-8-15-11(9)16-12(19)10-6-4-7-14-10/h3-8,14H,2H2,1H3,(H,15,16,19)