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

Systemtic Name: methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H14ClNO3S2 MolecularWeight: 427.92376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H14ClNO3S2/c1-26-21(25)16-14(12-7-3-2-4-8-12)11-27-20(16)23-19(24)18-17(22)13-9-5-6-10-15(13)28-18/h2-11H,1H3,(H,23,24)