methyl 2-[[2-chloranyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: methyl 2-[[2-chloranyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: methyl 2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoate CAS Name: 2-[[[2-chloro-4-[(1H-indol-4-ylmethylamino)-oxomethyl]phenyl]-oxomethyl]amino]-3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoate Traditional Name: 2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-(2-thenoylamino)propionic acid methyl ester Formula: C26H23ClN4O5S MolecularWeight: 539.00262

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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=C4C=CNC4=CC=C3)Cl

Isomeric SMILES

COC(=O)C(CNC(=O)C1=CC=CS1)NC(=O)C2=C(C=C(C=C2)C(=O)NCC3=C4C=CNC4=CC=C3)Cl

InChI

InChI=1S/C26H23ClN4O5S/c1-36-26(35)21(14-30-25(34)22-6-3-11-37-22)31-24(33)18-8-7-15(12-19(18)27)23(32)29-13-16-4-2-5-20-17(16)9-10-28-20/h2-12,21,28H,13-14H2,1H3,(H,29,32)(H,30,34)(H,31,33)