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

Systemtic Name: 4-[3-[(Z)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: 4-[3-[(Z)-(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1-pyrrolyl]benzoate IUPAC Name: 4-[3-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(Z)-(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C21H18N3O4S- MolecularWeight: 408.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)C=C3C(=O)NC(=S)N(C3=O)CC=C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)/C=C\3/C(=O)NC(=S)N(C3=O)CC=C

InChI

InChI=1S/C21H19N3O4S/c1-4-9-23-19(26)17(18(25)22-21(23)29)11-15-10-12(2)24(13(15)3)16-7-5-14(6-8-16)20(27)28/h4-8,10-11H,1,9H2,2-3H3,(H,27,28)(H,22,25,29)/p-1/b17-11-