methyl (2S)-3-(4-nitrophenyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoate

Systemtic Name: methyl (2S)-3-(4-nitrophenyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoate Openeye Name: methyl (2S)-3-(4-nitrophenyl)-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoate CAS Name: (2S)-3-(4-nitrophenyl)-2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-nitrophenyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoate Traditional Name: (2S)-3-(4-nitrophenyl)-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionic acid methyl ester Formula: C13H13N5O5S2 MolecularWeight: 383.40282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)NC2=NNC(=S)S2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C13H13N5O5S2/c1-23-10(19)9(6-7-2-4-8(5-3-7)18(21)22)14-11(20)15-12-16-17-13(24)25-12/h2-5,9H,6H2,1H3,(H,17,24)(H2,14,15,16,20)/t9-/m0/s1