[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-[[1-(2,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate

Systemtic Name: [2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-[[1-(2,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate Openeye Name: [2-(2-methoxyanilino)-2-oxo-ethyl] 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetate CAS Name: 2-[[1-(2,5-dimethylphenyl)-5-tetrazolyl]thio]acetic acid [2-(2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyanilino)-2-oxoethyl] 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetate Traditional Name: 2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]thio]acetic acid [2-keto-2-(o-anisidino)ethyl] ester Formula: C20H21N5O4S MolecularWeight: 427.47684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)OCC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)OCC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C20H21N5O4S/c1-13-8-9-14(2)16(10-13)25-20(22-23-24-25)30-12-19(27)29-11-18(26)21-15-6-4-5-7-17(15)28-3/h4-10H,11-12H2,1-3H3,(H,21,26)