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

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-yl)ethanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-indan-5-ylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-yl)acetic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate Traditional Name: 2-indan-5-ylacetic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C21H20N2O3S/c1-14-9-18(27-13-22)7-8-19(14)23-20(24)12-26-21(25)11-15-5-6-16-3-2-4-17(16)10-15/h5-10H,2-4,11-12H2,1H3,(H,23,24)