methyl 5-[3-[(2-oxidanyl-2-phenyl-ethyl)amino]butyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[3-[(2-oxidanyl-2-phenyl-ethyl)amino]butyl]thiophene-2-carboxylate Openeye Name: methyl 5-[3-[(2-hydroxy-2-phenyl-ethyl)amino]butyl]thiophene-2-carboxylate CAS Name: 5-[3-[(2-hydroxy-2-phenylethyl)amino]butyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[(2-hydroxy-2-phenylethyl)amino]butyl]thiophene-2-carboxylate Traditional Name: 5-[3-[(2-hydroxy-2-phenyl-ethyl)amino]butyl]thiophene-2-carboxylic acid methyl ester Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=O)OC)NCC(C2=CC=CC=C2)O

Isomeric SMILES

CC(CCC1=CC=C(S1)C(=O)OC)NCC(C2=CC=CC=C2)O

InChI

InChI=1S/C18H23NO3S/c1-13(19-12-16(20)14-6-4-3-5-7-14)8-9-15-10-11-17(23-15)18(21)22-2/h3-7,10-11,13,16,19-20H,8-9,12H2,1-2H3