O2-tert-butyl O4-ethyl 5-[(3-bromophenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 5-[(3-bromophenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-[(3-bromobenzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(3-bromophenyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-[(3-bromobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3-bromobenzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C20H22BrNO5S/c1-6-26-18(24)14-11(2)15(19(25)27-20(3,4)5)28-17(14)22-16(23)12-8-7-9-13(21)10-12/h7-10H,6H2,1-5H3,(H,22,23)