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

Systemtic Name: (2S)-2-[4-[(Z)-[1-(3-methylphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoate Openeye Name: (2S)-2-[4-[(Z)-[1-(m-tolyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]propanoate CAS Name: (2S)-2-[4-[(Z)-[1-(3-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoate IUPAC Name: (2S)-2-[4-[(Z)-[1-(3-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoate Traditional Name: (2S)-2-[4-[(Z)-[4,6-diketo-1-(m-tolyl)-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]propionate Formula: C21H17N2O5S- MolecularWeight: 409.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC(C)C(=O)[O-])C(=O)NC2=S

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)O[C@@H](C)C(=O)[O-])/C(=O)NC2=S

InChI

InChI=1S/C21H18N2O5S/c1-12-4-3-5-15(10-12)23-19(25)17(18(24)22-21(23)29)11-14-6-8-16(9-7-14)28-13(2)20(26)27/h3-11,13H,1-2H3,(H,26,27)(H,22,24,29)/p-1/b17-11-/t13-/m0/s1