methyl 4-[[2-cyanoethyl-[[(2R)-oxolan-2-yl]methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 4-[[2-cyanoethyl-[[(2R)-oxolan-2-yl]methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 4-[[2-cyanoethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[2-cyanoethyl-[[(2R)-2-oxolanyl]methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-cyanoethyl-[[(2R)-oxolan-2-yl]methyl]carbamothioyl]amino]benzoate Traditional Name: 4-[[2-cyanoethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N(CCC#N)CC2CCCO2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N(CCC#N)C[C@H]2CCCO2

InChI

InChI=1S/C17H21N3O3S/c1-22-16(21)13-5-7-14(8-6-13)19-17(24)20(10-3-9-18)12-15-4-2-11-23-15/h5-8,15H,2-4,10-12H2,1H3,(H,19,24)/t15-/m1/s1