ethyl 5-[1,3-bis(oxidanylidene)inden-2-ylidene]-4-phenyl-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: ethyl 5-[1,3-bis(oxidanylidene)inden-2-ylidene]-4-phenyl-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl 5-(1,3-dioxoindan-2-ylidene)-4-phenyl-1,3,4-thiadiazole-2-carboxylate CAS Name: 5-(1,3-dioxo-2-indenylidene)-4-phenyl-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-dioxoinden-2-ylidene)-4-phenyl-1,3,4-thiadiazole-2-carboxylate Traditional Name: 5-(1,3-diketoindan-2-ylidene)-4-phenyl-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C20H14N2O4S MolecularWeight: 378.40116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C2C(=O)C3=CC=CC=C3C2=O)S1)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C2C(=O)C3=CC=CC=C3C2=O)S1)C4=CC=CC=C4

InChI

InChI=1S/C20H14N2O4S/c1-2-26-20(25)18-21-22(12-8-4-3-5-9-12)19(27-18)15-16(23)13-10-6-7-11-14(13)17(15)24/h3-11H,2H2,1H3