4-[2,5-dimethyl-3-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]-3-methyl-benzoate

Systemtic Name: 4-[2,5-dimethyl-3-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]-3-methyl-benzoate Openeye Name: 4-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]-3-methyl-benzoate CAS Name: 4-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]-1-pyrrolyl]-3-methylbenzoate IUPAC Name: 4-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]pyrrol-1-yl]-3-methylbenzoate Traditional Name: 4-[3-[(E)-(6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoate Formula: C19H15N3O4S-2 MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S/c1-9-6-12(18(25)26)4-5-15(9)22-10(2)7-13(11(22)3)8-14-16(23)20-19(27)21-17(14)24/h4-8H,1-3H3,(H,25,26)(H2,20,21,23,24,27)/p-2