O2-tert-butyl O4-ethyl 5-(3,3-diphenylpropanoylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 5-(3,3-diphenylpropanoylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-(3,3-diphenylpropanoylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[(1-oxo-3,3-diphenylpropyl)amino]thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-(3,3-diphenylpropanoylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(3,3-diphenylpropanoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H31NO5S/c1-6-33-26(31)23-18(2)24(27(32)34-28(3,4)5)35-25(23)29-22(30)17-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21H,6,17H2,1-5H3,(H,29,30)