(phenylmethyl) 3-methoxy-3-[(methoxycarbonylamino)-sulfanyl-methyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-methoxy-3-[(methoxycarbonylamino)-sulfanyl-methyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 3-methoxy-3-[(methoxycarbonylamino)-sulfanyl-methyl]pyrrolidine-1-carboxylate CAS Name: 3-[mercapto-(methoxycarbonylamino)methyl]-3-methoxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methoxy-3-[(methoxycarbonylamino)-sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: 3-[(carbomethoxyamino)-mercapto-methyl]-3-methoxy-pyrrolidine-1-carboxylic acid benzyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(C1(CCN(C1)C(=O)OCC2=CC=CC=C2)OC)S

Isomeric SMILES

COC(=O)NC(C1(CCN(C1)C(=O)OCC2=CC=CC=C2)OC)S

InChI

InChI=1S/C16H22N2O5S/c1-21-14(19)17-13(24)16(22-2)8-9-18(11-16)15(20)23-10-12-6-4-3-5-7-12/h3-7,13,24H,8-11H2,1-2H3,(H,17,19)