tert-butyl 2-(benzamidomethyl)-5-(3-hydroxyphenyl)carbonyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: tert-butyl 2-(benzamidomethyl)-5-(3-hydroxyphenyl)carbonyl-4-methyl-thiophene-3-carboxylate Openeye Name: tert-butyl 2-(benzamidomethyl)-5-(3-hydroxybenzoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-(benzamidomethyl)-5-[(3-hydroxyphenyl)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(benzamidomethyl)-5-(3-hydroxybenzoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-(benzamidomethyl)-5-(3-hydroxybenzoyl)-4-methyl-thiophene-3-carboxylic acid tert-butyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)(C)C)CNC(=O)C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)(C)C)CNC(=O)C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)O

InChI

InChI=1S/C25H25NO5S/c1-15-20(24(30)31-25(2,3)4)19(14-26-23(29)16-9-6-5-7-10-16)32-22(15)21(28)17-11-8-12-18(27)13-17/h5-13,27H,14H2,1-4H3,(H,26,29)