ethyl 2-[4-(4-tert-butylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-tert-butylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-tert-butylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-tert-butylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(4-tert-butylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H30N2O6S MolecularWeight: 510.6019

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CCCOC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CCCOC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H30N2O6S/c1-5-34-26(31)24-22(18-8-6-9-20(16-18)29(32)33)17-36-25(24)28-23(30)10-7-15-35-21-13-11-19(12-14-21)27(2,3)4/h6,8-9,11-14,16-17H,5,7,10,15H2,1-4H3,(H,28,30)