methyl 3-chloranyl-6-[(4-methylpyridin-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4-methylpyridin-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-methyl-2-pyridyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(4-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-methylpyridin-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-methyl-2-pyridyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H14ClN3O2S2 MolecularWeight: 391.89496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC(=NC=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C17H14ClN3O2S2/c1-9-5-6-19-13(7-9)21-17(24)20-10-3-4-11-12(8-10)25-15(14(11)18)16(22)23-2/h3-8H,1-2H3,(H2,19,20,21,24)