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

Systemtic Name: cyclohexylmethyl 4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: cyclohexylmethyl 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid cyclohexylmethyl ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1CCCCC1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)OCC1CCCCC1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H26N2O5S/c1-27-11-10-17(19(23)26-13-14-6-3-2-4-7-14)20-18(22)15-8-5-9-16(12-15)21(24)25/h5,8-9,12,14,17H,2-4,6-7,10-11,13H2,1H3,(H,20,22)