2-(4-propoxyphenoxy)ethyl 4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate

Systemtic Name: 2-(4-propoxyphenoxy)ethyl 4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: 2-(4-propoxyphenoxy)ethyl 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid 2-(4-propoxyphenoxy)ethyl ester IUPAC Name: 2-(4-propoxyphenoxy)ethyl 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid 2-(4-propoxyphenoxy)ethyl ester Formula: C23H28N2O7S MolecularWeight: 476.54262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCOC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCOC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H28N2O7S/c1-3-12-30-19-7-9-20(10-8-19)31-13-14-32-23(27)21(11-15-33-2)24-22(26)17-5-4-6-18(16-17)25(28)29/h4-10,16,21H,3,11-15H2,1-2H3,(H,24,26)