methyl 2-[[2-bromanyl-4-(1-naphthalen-1-ylethylcarbamoyl)phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: methyl 2-[[2-bromanyl-4-(1-naphthalen-1-ylethylcarbamoyl)phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: methyl 2-[[2-bromo-4-[1-(1-naphthyl)ethylcarbamoyl]benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoate CAS Name: 2-[[[2-bromo-4-[[1-(1-naphthalenyl)ethylamino]-oxomethyl]phenyl]-oxomethyl]amino]-3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-bromo-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoate Traditional Name: 2-[[2-bromo-4-[1-(1-naphthyl)ethylcarbamoyl]benzoyl]amino]-3-(2-thenoylamino)propionic acid methyl ester Formula: C29H26BrN3O5S MolecularWeight: 608.50284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC(=C(C=C3)C(=O)NC(CNC(=O)C4=CC=CS4)C(=O)OC)Br

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC(=C(C=C3)C(=O)NC(CNC(=O)C4=CC=CS4)C(=O)OC)Br

InChI

InChI=1S/C29H26BrN3O5S/c1-17(20-10-5-8-18-7-3-4-9-21(18)20)32-26(34)19-12-13-22(23(30)15-19)27(35)33-24(29(37)38-2)16-31-28(36)25-11-6-14-39-25/h3-15,17,24H,16H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)