2-[[2-chloranyl-4-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-chloranyl-4-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-chloro-4-(thiophene-2-carbonylamino)benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[2-chloro-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-chloro-4-(thiophene-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-chloro-4-(2-thenoylamino)benzoyl]amino]-4-methyl-valeric acid Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC=CS2)Cl

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC=CS2)Cl

InChI

InChI=1S/C18H19ClN2O4S/c1-10(2)8-14(18(24)25)21-16(22)12-6-5-11(9-13(12)19)20-17(23)15-4-3-7-26-15/h3-7,9-10,14H,8H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)