(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NN=C(N3CC)C4=CC=CS4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NN=C(N3CC)C4=CC=CS4

InChI

InChI=1S/C22H21N3O4S2/c1-3-14-7-8-16-15(11-19(26)29-17(16)10-14)12-28-20(27)13-31-22-24-23-21(25(22)4-2)18-6-5-9-30-18/h5-11H,3-4,12-13H2,1-2H3