[4-[(E)-(5-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenyl] propanoate

Systemtic Name: [4-[(E)-(5-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenyl] propanoate Openeye Name: [4-[(E)-(1-allyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenyl] propanoate CAS Name: propanoic acid [4-[(E)-(5-oxo-1-prop-2-enyl-2-sulfanylidene-4-imidazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl] propanoate Traditional Name: propionic acid [4-[(E)-(1-allyl-5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]phenyl] ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)CC=C

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)N2)CC=C

InChI

InChI=1S/C16H16N2O3S/c1-3-9-18-15(20)13(17-16(18)22)10-11-5-7-12(8-6-11)21-14(19)4-2/h3,5-8,10H,1,4,9H2,2H3,(H,17,22)/b13-10+