(2S)-2-[4-[(Z)-[1-(3-chlorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoate

Systemtic Name: (2S)-2-[4-[(Z)-[1-(3-chlorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoate Openeye Name: (2S)-2-[4-[(Z)-[1-(3-chlorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]propanoate CAS Name: (2S)-2-[4-[(Z)-[1-(3-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoate IUPAC Name: (2S)-2-[4-[(Z)-[1-(3-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoate Traditional Name: (2S)-2-[4-[(Z)-[1-(3-chlorophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]propionate Formula: C20H14ClN2O5S- MolecularWeight: 429.85356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)[O-])OC1=CC=C(C=C1)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H15ClN2O5S/c1-11(19(26)27)28-15-7-5-12(6-8-15)9-16-17(24)22-20(29)23(18(16)25)14-4-2-3-13(21)10-14/h2-11H,1H3,(H,26,27)(H,22,24,29)/p-1/b16-9-/t11-/m0/s1