2-[[3-(1-benzothiophen-2-ylcarbonylamino)-4-methyl-phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-(1-benzothiophen-2-ylcarbonylamino)-4-methyl-phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-(benzothiophene-2-carbonylamino)-4-methyl-benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[3-[[1-benzothiophen-2-yl(oxo)methyl]amino]-4-methylphenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-(1-benzothiophene-2-carbonylamino)-4-methylbenzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-(benzothiophene-2-carbonylamino)-4-methyl-benzoyl]amino]-4-methyl-valeric acid Formula: C23H24N2O4S MolecularWeight: 424.51266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C23H24N2O4S/c1-13(2)10-18(23(28)29)25-21(26)16-9-8-14(3)17(11-16)24-22(27)20-12-15-6-4-5-7-19(15)30-20/h4-9,11-13,18H,10H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)