methyl (3R,4R)-3-methyl-4-[(S)-(1-methylimidazol-2-yl)sulfinyl]-5-phenyl-pentanoate

Systemtic Name: methyl (3R,4R)-3-methyl-4-[(S)-(1-methylimidazol-2-yl)sulfinyl]-5-phenyl-pentanoate Openeye Name: methyl (3R,4R)-3-methyl-4-[(S)-(1-methylimidazol-2-yl)sulfinyl]-5-phenyl-pentanoate CAS Name: (3R,4R)-3-methyl-4-[(S)-(1-methyl-2-imidazolyl)sulfinyl]-5-phenylpentanoic acid methyl ester IUPAC Name: methyl (3R,4R)-3-methyl-4-[(S)-(1-methylimidazol-2-yl)sulfinyl]-5-phenylpentanoate Traditional Name: (3R,4R)-3-methyl-4-[(S)-(1-methylimidazol-2-yl)sulfinyl]-5-phenyl-valeric acid methyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C(CC1=CC=CC=C1)S(=O)C2=NC=CN2C

Isomeric SMILES

C[C@H](CC(=O)OC)[C@@H](CC1=CC=CC=C1)[S@](=O)C2=NC=CN2C

InChI

InChI=1S/C17H22N2O3S/c1-13(11-16(20)22-3)15(12-14-7-5-4-6-8-14)23(21)17-18-9-10-19(17)2/h4-10,13,15H,11-12H2,1-3H3/t13-,15-,23+/m1/s1