methyl (2S)-2-[[3,7-bis(chloranyl)-11-sulfanylidene-benzo[d][1,3,6,2]benzodioxathiaphosphocin-11-yl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[3,7-bis(chloranyl)-11-sulfanylidene-benzo[d][1,3,6,2]benzodioxathiaphosphocin-11-yl]amino]propanoate Openeye Name: methyl (2S)-2-[(3,7-dichloro-11-thioxo-benzo[d][1,3,6,2]benzodioxathiaphosphocin-11-yl)amino]propanoate CAS Name: (2S)-2-[(3,7-dichloro-11-sulfanylidene-11-benzo[d][1,3,6,2]benzodioxathiaphosphocinyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3,7-dichloro-11-sulfanylidenebenzo[d][1,3,6,2]benzodioxathiaphosphocin-11-yl)amino]propanoate Traditional Name: (2S)-2-[(3,7-dichloro-11-thioxo-benzo[d][1,3,6,2]benzodioxathiaphosphocin-11-yl)amino]propionic acid methyl ester Formula: C16H14Cl2NO4PS2 MolecularWeight: 450.296421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NP1(=S)OC2=C(C=C(C=C2)Cl)SC3=C(O1)C=CC(=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)OC)NP1(=S)OC2=C(C=C(C=C2)Cl)SC3=C(O1)C=CC(=C3)Cl

InChI

InChI=1S/C16H14Cl2NO4PS2/c1-9(16(20)21-2)19-24(25)22-12-5-3-10(17)7-14(12)26-15-8-11(18)4-6-13(15)23-24/h3-9H,1-2H3,(H,19,25)/t9-/m0/s1