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

Systemtic Name: [2-methoxy-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]-2-methoxy-phenyl] propanoate CAS Name: propanoic acid [2-methoxy-4-[(E)-(5-oxo-1-prop-2-enyl-2-sulfanylidene-4-imidazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-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]-2-methoxy-phenyl] ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c1-4-8-19-16(21)12(18-17(19)24)9-11-6-7-13(14(10-11)22-3)23-15(20)5-2/h4,6-7,9-10H,1,5,8H2,2-3H3,(H,18,24)/b12-9+