ethyl 5-[(3R)-4-azanyl-3-oxidanyl-butyl]-4-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(3R)-4-azanyl-3-oxidanyl-butyl]-4-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(3R)-4-amino-3-hydroxy-butyl]-4-methyl-thiophene-2-carboxylate CAS Name: 5-[(3R)-4-amino-3-hydroxybutyl]-4-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3R)-4-amino-3-hydroxybutyl]-4-methylthiophene-2-carboxylate Traditional Name: 5-[(3R)-4-amino-3-hydroxy-butyl]-4-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(S1)CCC(CN)O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(S1)CC[C@H](CN)O)C

InChI

InChI=1S/C12H19NO3S/c1-3-16-12(15)11-6-8(2)10(17-11)5-4-9(14)7-13/h6,9,14H,3-5,7,13H2,1-2H3/t9-/m1/s1