2-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]-2-methyl-propanoic acid

Systemtic Name: 2-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]-2-methyl-propanoic acid CAS Name: 2-[[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-2-methylpropanoic acid Traditional Name: 2-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]-2-methyl-propionic acid Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NC(C)(C)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NC(C)(C)C(=O)O

InChI

InChI=1S/C15H20N2O4S/c1-8(18)16-13-11(9-6-4-5-7-10(9)22-13)12(19)17-15(2,3)14(20)21/h4-7H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)