tert-butyl 2-[(3-bromanylthiophen-2-yl)methylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[(3-bromanylthiophen-2-yl)methylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[(3-bromo-2-thienyl)methylamino]-3-phenyl-propanoate CAS Name: 2-[(3-bromo-2-thiophenyl)methylamino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-bromothiophen-2-yl)methylamino]-3-phenylpropanoate Traditional Name: 2-[(3-bromo-2-thienyl)methylamino]-3-phenyl-propionic acid tert-butyl ester Formula: C18H22BrNO2S MolecularWeight: 396.34178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NCC2=C(C=CS2)Br

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NCC2=C(C=CS2)Br

InChI

InChI=1S/C18H22BrNO2S/c1-18(2,3)22-17(21)15(11-13-7-5-4-6-8-13)20-12-16-14(19)9-10-23-16/h4-10,15,20H,11-12H2,1-3H3