methyl 2-[[2,3-bis(chloranyl)-4-oxidanyl-phenyl]carbamoylamino]-5-tert-butyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2,3-bis(chloranyl)-4-oxidanyl-phenyl]carbamoylamino]-5-tert-butyl-thiophene-3-carboxylate Openeye Name: methyl 5-tert-butyl-2-[(2,3-dichloro-4-hydroxy-phenyl)carbamoylamino]thiophene-3-carboxylate CAS Name: 5-tert-butyl-2-[[(2,3-dichloro-4-hydroxyanilino)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-2-[(2,3-dichloro-4-hydroxyphenyl)carbamoylamino]thiophene-3-carboxylate Traditional Name: 5-tert-butyl-2-[(2,3-dichloro-4-hydroxy-phenyl)carbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H18Cl2N2O4S MolecularWeight: 417.30682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=C(C(=C(C=C2)O)Cl)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=C(C(=C(C=C2)O)Cl)Cl)C(=O)OC

InChI

InChI=1S/C17H18Cl2N2O4S/c1-17(2,3)11-7-8(15(23)25-4)14(26-11)21-16(24)20-9-5-6-10(22)13(19)12(9)18/h5-7,22H,1-4H3,(H2,20,21,24)