methyl 2-methoxy-5-[[[(2R)-oxolan-2-yl]methylcarbamothioylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[[(2R)-oxolan-2-yl]methylcarbamothioylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[[(2R)-oxolan-2-yl]methylcarbamothioylamino]methyl]benzoate Traditional Name: 2-methoxy-5-[[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylamino]methyl]benzoic acid methyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NCC2CCCO2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NC[C@H]2CCCO2)C(=O)OC

InChI

InChI=1S/C16H22N2O4S/c1-20-14-6-5-11(8-13(14)15(19)21-2)9-17-16(23)18-10-12-4-3-7-22-12/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H2,17,18,23)/t12-/m1/s1