methyl (2R)-4-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-benzoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCSC(C2)C(=O)OC)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCS[C@H](C2)C(=O)OC)OCC(=O)N

InChI

InChI=1S/C16H20N2O6S/c1-22-12-7-10(3-4-11(12)24-9-14(17)19)15(20)18-5-6-25-13(8-18)16(21)23-2/h3-4,7,13H,5-6,8-9H2,1-2H3,(H2,17,19)/t13-/m1/s1