methyl (2R)-4-[[(2R)-oxolan-2-yl]methylcarbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2R)-4-[[(2R)-oxolan-2-yl]methylcarbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2R)-4-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[[(2R)-oxolan-2-yl]methylcarbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NCC3CCCO3

Isomeric SMILES

COC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C16H20N2O4S/c1-20-15(19)14-10-18(12-6-2-3-7-13(12)22-14)16(23)17-9-11-5-4-8-21-11/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,17,23)/t11-,14-/m1/s1