[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl] propanoate

Systemtic Name: [4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl] propanoate Openeye Name: [4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl] propanoate CAS Name: propanoic acid [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] ester IUPAC Name: [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] propanoate Traditional Name: propionic acid [4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl] ester Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C14H12N2O4S/c1-2-11(17)20-9-5-3-8(4-6-9)7-10-12(18)15-14(21)16-13(10)19/h3-7H,2H2,1H3,(H2,15,16,18,19,21)