methyl 2-[(5-chloranylpyridin-2-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-chloranylpyridin-2-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(5-chloro-2-pyridyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-chloropyridin-2-yl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-pyridyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H16ClN3O2S2 MolecularWeight: 417.93224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=NC=C(C=C2)Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=NC=C(C=C2)Cl)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H16ClN3O2S2/c1-11-15(12-6-4-3-5-7-12)16(18(24)25-2)17(27-11)23-19(26)22-14-9-8-13(20)10-21-14/h3-10H,1-2H3,(H2,21,22,23,26)