[6-ethyl-4-oxidanylidene-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl] ethanoate

Systemtic Name: [6-ethyl-4-oxidanylidene-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl] ethanoate Openeye Name: [6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl] acetate CAS Name: acetic acid [6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-benzopyran-7-yl] ester IUPAC Name: [6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl] acetate Traditional Name: acetic acid [6-ethyl-4-keto-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl] ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NN=C(S3)C4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NN=C(S3)C4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C21H16N2O4S/c1-3-13-9-15-18(10-17(13)27-12(2)24)26-11-16(19(15)25)21-23-22-20(28-21)14-7-5-4-6-8-14/h4-11H,3H2,1-2H3