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

Systemtic Name: 4-[2-[(Z)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoate Openeye Name: 4-[2-[(Z)-(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate CAS Name: 4-[2-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1-pyrrolyl]benzoate IUPAC Name: 4-[2-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2-[(Z)-(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Formula: C19H14N3O4S- MolecularWeight: 380.39716

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)C(=O)[O-])C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C\C2=CC=CN2C3=CC=C(C=C3)C(=O)[O-])/C(=O)NC1=S

InChI

InChI=1S/C19H15N3O4S/c1-2-9-22-17(24)15(16(23)20-19(22)27)11-14-4-3-10-21(14)13-7-5-12(6-8-13)18(25)26/h2-8,10-11H,1,9H2,(H,25,26)(H,20,23,27)/p-1/b15-11-