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

Systemtic Name: methyl 5-[3-[bis(2-oxidanyl-2-phenyl-ethyl)amino]butyl]thiophene-2-carboxylate Openeye Name: methyl 5-[3-[bis(2-hydroxy-2-phenyl-ethyl)amino]butyl]thiophene-2-carboxylate CAS Name: 5-[3-[bis(2-hydroxy-2-phenylethyl)amino]butyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[bis(2-hydroxy-2-phenylethyl)amino]butyl]thiophene-2-carboxylate Traditional Name: 5-[3-[bis(2-hydroxy-2-phenyl-ethyl)amino]butyl]thiophene-2-carboxylic acid methyl ester Formula: C26H31NO4S MolecularWeight: 453.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=O)OC)N(CC(C2=CC=CC=C2)O)CC(C3=CC=CC=C3)O

Isomeric SMILES

CC(CCC1=CC=C(S1)C(=O)OC)N(CC(C2=CC=CC=C2)O)CC(C3=CC=CC=C3)O

InChI

InChI=1S/C26H31NO4S/c1-19(13-14-22-15-16-25(32-22)26(30)31-2)27(17-23(28)20-9-5-3-6-10-20)18-24(29)21-11-7-4-8-12-21/h3-12,15-16,19,23-24,28-29H,13-14,17-18H2,1-2H3