[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-yl)ethanoate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-yl)ethanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-indan-5-ylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-yl)acetic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate Traditional Name: 2-indan-5-ylacetic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)CC2=CC3=C(CCC3)C=C2)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)CC2=CC3=C(CCC3)C=C2)C)SC#N

InChI

InChI=1S/C22H22N2O3S/c1-14-8-19(28-13-23)9-15(2)22(14)24-20(25)12-27-21(26)11-16-6-7-17-4-3-5-18(17)10-16/h6-10H,3-5,11-12H2,1-2H3,(H,24,25)