2-[4-[(Z)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(Z)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanoate Openeye Name: 2-[4-[(Z)-(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]acetate CAS Name: 2-[4-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetate IUPAC Name: 2-[4-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetate Traditional Name: 2-[4-[(Z)-(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]acetate Formula: C16H13N2O5S- MolecularWeight: 345.34982

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=C(C=C2)OCC(=O)[O-])C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C\C2=CC=C(C=C2)OCC(=O)[O-])/C(=O)NC1=S

InChI

InChI=1S/C16H14N2O5S/c1-2-7-18-15(22)12(14(21)17-16(18)24)8-10-3-5-11(6-4-10)23-9-13(19)20/h2-6,8H,1,7,9H2,(H,19,20)(H,17,21,24)/p-1/b12-8-