methyl 2-[(5-chloranylpyridin-2-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-chloranylpyridin-2-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(5-chloro-2-pyridyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-chloropyridin-2-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-pyridyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C18H14ClN3O2S2 MolecularWeight: 403.90566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClN3O2S2/c1-24-17(23)13-9-14(11-5-3-2-4-6-11)26-16(13)22-18(25)21-15-8-7-12(19)10-20-15/h2-10H,1H3,(H2,20,21,22,25)