methyl 2-[(3-chloranyl-4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-chloranyl-4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-chloro-4-fluoro-benzothiophene-2-carbonyl)amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-4-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(3-chloro-4-fluoro-benzothiophene-2-carbonyl)amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H13ClFNO3S2 MolecularWeight: 445.914223

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C3=C(C4=C(C=CC=C4S3)F)Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C3=C(C4=C(C=CC=C4S3)F)Cl

InChI

InChI=1S/C21H13ClFNO3S2/c1-27-21(26)12-10-15(11-6-3-2-4-7-11)29-20(12)24-19(25)18-17(22)16-13(23)8-5-9-14(16)28-18/h2-10H,1H3,(H,24,25)