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

Systemtic Name: O2-tert-butyl O4-ethyl 3-methyl-5-[(2-methylphenyl)carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(2-methylphenyl)-oxomethyl]amino]thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(o-toluoylamino)thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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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=C2C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C21H25NO5S/c1-7-26-19(24)15-13(3)16(20(25)27-21(4,5)6)28-18(15)22-17(23)14-11-9-8-10-12(14)2/h8-11H,7H2,1-6H3,(H,22,23)