methyl 2-[[2-bromanyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: methyl 2-[[2-bromanyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: methyl 2-[[2-bromo-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoate CAS Name: 2-[[[2-bromo-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]-3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-bromo-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoate Traditional Name: 2-[[2-bromo-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]-3-(2-thenoylamino)propionic acid methyl ester Formula: C24H22BrN3O6S MolecularWeight: 560.41698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)C1=CC=CS1)NC(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)O)Br

Isomeric SMILES

COC(=O)C(CNC(=O)C1=CC=CS1)NC(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)O)Br

InChI

InChI=1S/C24H22BrN3O6S/c1-34-24(33)19(13-27-23(32)20-6-3-9-35-20)28-22(31)17-8-7-15(11-18(17)25)21(30)26-12-14-4-2-5-16(29)10-14/h2-11,19,29H,12-13H2,1H3,(H,26,30)(H,27,32)(H,28,31)