methyl 3-chloranyl-6-[(2-fluoranyl-5-methyl-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2-fluoranyl-5-methyl-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-fluoro-5-methyl-phenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2-fluoro-5-methylanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-fluoro-5-methylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2-fluoro-5-methyl-phenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H14ClFN2O2S2 MolecularWeight: 408.897363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClFN2O2S2/c1-9-3-6-12(20)13(7-9)22-18(25)21-10-4-5-11-14(8-10)26-16(15(11)19)17(23)24-2/h3-8H,1-2H3,(H2,21,22,25)