propan-2-yl (3S,4S,5R)-2-azanylidene-4-phenyl-5-(phenylcarbonyl)thiolane-3-carboxylate

Systemtic Name: propan-2-yl (3S,4S,5R)-2-azanylidene-4-phenyl-5-(phenylcarbonyl)thiolane-3-carboxylate Openeye Name: isopropyl (3S,4S,5R)-5-benzoyl-2-imino-4-phenyl-tetrahydrothiophene-3-carboxylate CAS Name: (3S,4S,5R)-5-benzoyl-2-imino-4-phenyl-3-thiolanecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S,4S,5R)-5-benzoyl-2-imino-4-phenylthiolane-3-carboxylate Traditional Name: (3S,4S,5R)-5-benzoyl-2-imino-4-phenyl-tetrahydrothiophene-3-carboxylic acid isopropyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C(C(SC1=N)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)[C@@H]1[C@H]([C@@H](SC1=N)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO3S/c1-13(2)25-21(24)17-16(14-9-5-3-6-10-14)19(26-20(17)22)18(23)15-11-7-4-8-12-15/h3-13,16-17,19,22H,1-2H3/t16-,17-,19-/m1/s1