(2-nitrophenyl)methyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: (2-nitrophenyl)methyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: (2-nitrophenyl)methyl 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid (2-nitrobenzyl) ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CCNC(=O)CCC(=O)C2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CCNC(=O)CCC(=O)C2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c21-15(16-6-3-11-27-16)7-8-17(22)19-10-9-18(23)26-12-13-4-1-2-5-14(13)20(24)25/h1-6,11H,7-10,12H2,(H,19,22)