[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 1H-indole-3-carboxylate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 1H-indole-3-carboxylate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 1H-indole-3-carboxylate CAS Name: 1H-indole-3-carboxylic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 1H-indole-3-carboxylate Traditional Name: 1H-indole-3-carboxylic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)C2=CNC3=CC=CC=C32)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)C2=CNC3=CC=CC=C32)C)SC#N

InChI

InChI=1S/C20H17N3O3S/c1-12-7-14(27-11-21)8-13(2)19(12)23-18(24)10-26-20(25)16-9-22-17-6-4-3-5-15(16)17/h3-9,22H,10H2,1-2H3,(H,23,24)