[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1H-indene-5-carboxylate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1H-indene-5-carboxylate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] indane-5-carboxylate CAS Name: 2,3-dihydro-1H-indene-5-carboxylic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate Traditional Name: indane-5-carboxylic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S/c1-13-9-17(26-12-21)7-8-18(13)22-19(23)11-25-20(24)16-6-5-14-3-2-4-15(14)10-16/h5-10H,2-4,11H2,1H3,(H,22,23)