2-[3-[(E)-(1-ethyl-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]indol-1-yl]ethanoate

Systemtic Name: 2-[3-[(E)-(1-ethyl-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]indol-1-yl]ethanoate Openeye Name: 2-[3-[(E)-(1-ethyl-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]indol-1-yl]acetate CAS Name: 2-[3-[(E)-(1-ethyl-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]-1-indolyl]acetate IUPAC Name: 2-[3-[(E)-(1-ethyl-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]indol-1-yl]acetate Traditional Name: 2-[3-[(E)-(1-ethyl-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]indol-1-yl]acetate Formula: C17H13N3O4S-2 MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)[O-])C(=NC1=S)[O-]

Isomeric SMILES

CCN1C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)[O-])/C(=NC1=S)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-2-20-16(24)12(15(23)18-17(20)25)7-10-8-19(9-14(21)22)13-6-4-3-5-11(10)13/h3-8H,2,9H2,1H3,(H,21,22)(H,18,23,25)/p-2/b12-7+