tert-butyl 2-[(3-bromanylthiophen-2-yl)methyl-(2,4-dichlorophenyl)carbonyl-amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[(3-bromanylthiophen-2-yl)methyl-(2,4-dichlorophenyl)carbonyl-amino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[(3-bromo-2-thienyl)methyl-(2,4-dichlorobenzoyl)amino]-3-phenyl-propanoate CAS Name: 2-[(3-bromo-2-thiophenyl)methyl-[(2,4-dichlorophenyl)-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-bromothiophen-2-yl)methyl-(2,4-dichlorobenzoyl)amino]-3-phenylpropanoate Traditional Name: 2-[(3-bromo-2-thienyl)methyl-(2,4-dichlorobenzoyl)amino]-3-phenyl-propionic acid tert-butyl ester Formula: C25H24BrCl2NO3S MolecularWeight: 569.33796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N(CC2=C(C=CS2)Br)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N(CC2=C(C=CS2)Br)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C25H24BrCl2NO3S/c1-25(2,3)32-24(31)21(13-16-7-5-4-6-8-16)29(15-22-19(26)11-12-33-22)23(30)18-10-9-17(27)14-20(18)28/h4-12,14,21H,13,15H2,1-3H3