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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[(3-chlorobenzothiophene-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(3-chlorobenzothiophene-2-carbonyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H13BrClNO3S2 MolecularWeight: 506.81982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrClNO3S2/c1-27-21(26)16-14(11-6-8-12(22)9-7-11)10-28-20(16)24-19(25)18-17(23)13-4-2-3-5-15(13)29-18/h2-10H,1H3,(H,24,25)