ethyl 2-[(4-tert-butylphenyl)carbonylamino]-5-[(3-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-tert-butylphenyl)carbonylamino]-5-[(3-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-tert-butylbenzoyl)amino]-5-[(3-methyl-4-pyrrolidin-1-yl-phenyl)methylene]-4-oxo-thiophene-3-carboxylate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-5-[[3-methyl-4-(1-pyrrolidinyl)phenyl]methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-tert-butylbenzoyl)amino]-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-4-oxothiophene-3-carboxylate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-keto-5-(3-methyl-4-pyrrolidino-benzylidene)thiophene-3-carboxylic acid ethyl ester Formula: C30H34N2O4S MolecularWeight: 518.66696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)N3CCCC3)C)C1=O)NC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)N3CCCC3)C)C1=O)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C30H34N2O4S/c1-6-36-29(35)25-26(33)24(18-20-9-14-23(19(2)17-20)32-15-7-8-16-32)37-28(25)31-27(34)21-10-12-22(13-11-21)30(3,4)5/h9-14,17-18H,6-8,15-16H2,1-5H3,(H,31,34)