propan-2-yl 3-(2-butylsulfanylethanoylamino)-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-(2-butylsulfanylethanoylamino)-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[(2-butylsulfanylacetyl)amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[2-(butylthio)-1-oxoethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(2-butylsulfanylacetyl)amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[2-(butylthio)acetyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC(CC(=O)OC(C)C)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCSCC(=O)NC(CC(=O)OC(C)C)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C18H26N2O5S/c1-4-5-10-26-12-17(21)19-15(11-18(22)25-13(2)3)14-8-6-7-9-16(14)20(23)24/h6-9,13,15H,4-5,10-12H2,1-3H3,(H,19,21)