3-[1-azanyl-4-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-1,3,5-triazin-2-yl]propanoate

Systemtic Name: 3-[1-azanyl-4-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-1,3,5-triazin-2-yl]propanoate Openeye Name: 3-[4-[2-(4-acetylanilino)-2-oxo-ethyl]sulfanyl-1-amino-6-oxo-1,3,5-triazin-2-yl]propanoate CAS Name: 3-[4-[[2-(4-acetylanilino)-2-oxoethyl]thio]-1-amino-6-oxo-1,3,5-triazin-2-yl]propanoate IUPAC Name: 3-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1-amino-6-oxo-1,3,5-triazin-2-yl]propanoate Traditional Name: 3-[4-[[2-(4-acetylanilino)-2-keto-ethyl]thio]-1-amino-6-keto-s-triazin-2-yl]propionate Formula: C16H16N5O5S- MolecularWeight: 390.39374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N(C(=N2)CCC(=O)[O-])N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N(C(=N2)CCC(=O)[O-])N

InChI

InChI=1S/C16H17N5O5S/c1-9(22)10-2-4-11(5-3-10)18-13(23)8-27-15-19-12(6-7-14(24)25)21(17)16(26)20-15/h2-5H,6-8,17H2,1H3,(H,18,23)(H,24,25)/p-1