(Z,3R,4S)-5-azanyl-3-(4-chlorophenyl)-4-cyano-1-ethoxy-2-nitro-5-sulfanylidene-pent-1-en-1-olate; morpholin-4-ium

Systemtic Name: (Z,3R,4S)-5-azanyl-3-(4-chlorophenyl)-4-cyano-1-ethoxy-2-nitro-5-sulfanylidene-pent-1-en-1-olate; morpholin-4-ium Openeye Name: (Z,3R,4S)-5-amino-3-(4-chlorophenyl)-4-cyano-1-ethoxy-2-nitro-5-thioxo-pent-1-en-1-olate; morpholin-4-ium CAS Name: (Z,3R,4S)-5-amino-3-(4-chlorophenyl)-4-cyano-1-ethoxy-2-nitro-5-sulfanylidene-1-penten-1-olate; morpholin-4-ium IUPAC Name: (Z,3R,4S)-5-amino-3-(4-chlorophenyl)-4-cyano-1-ethoxy-2-nitro-5-sulfanylidenepent-1-en-1-olate; morpholin-4-ium Traditional Name: (Z,3R,4S)-5-amino-3-(4-chlorophenyl)-4-cyano-1-ethoxy-2-nitro-5-thioxo-pent-1-en-1-olate; morpholin-4-ium Formula: C18H23ClN4O5S MolecularWeight: 442.91702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(C1=CC=C(C=C1)Cl)C(C#N)C(=S)N)[N+](=O)[O-])[O-].C1COCC[NH2+]1

Isomeric SMILES

CCO/C(=C(/[C@@H](C1=CC=C(C=C1)Cl)[C@@H](C#N)C(=S)N)\[N+](=O)[O-])/[O-].C1COCC[NH2+]1

InChI

InChI=1S/C14H14ClN3O4S.C4H9NO/c1-2-22-14(19)12(18(20)21)11(10(7-16)13(17)23)8-3-5-9(15)6-4-8;1-3-6-4-2-5-1/h3-6,10-11,19H,2H2,1H3,(H2,17,23);5H,1-4H2/b14-12-;/t10-,11+;/m1./s1