[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[[(2S,3R)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[[(1S,2R)-1-methoxycarbonyl-2-methyl-butyl]amino]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-[[(1S,2R)-1-carbomethoxy-2-methyl-butyl]amino]-2-keto-ethyl] ester Formula: C14H18N2O7S MolecularWeight: 358.36692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC(=O)C1=CC=C(S1)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)OC)NC(=O)COC(=O)C1=CC=C(S1)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O7S/c1-4-8(2)12(14(19)22-3)15-10(17)7-23-13(18)9-5-6-11(24-9)16(20)21/h5-6,8,12H,4,7H2,1-3H3,(H,15,17)/t8-,12+/m1/s1