2-(methylamino)-3-(1-oxidanylidene-1-thiophen-2-yl-butan-2-yl)heptanoic acid

Systemtic Name: 2-(methylamino)-3-(1-oxidanylidene-1-thiophen-2-yl-butan-2-yl)heptanoic acid Openeye Name: 2-(methylamino)-3-[1-(thiophene-2-carbonyl)propyl]heptanoic acid CAS Name: 2-(methylamino)-3-(1-oxo-1-thiophen-2-ylbutan-2-yl)heptanoic acid IUPAC Name: 2-(methylamino)-3-(1-oxo-1-thiophen-2-ylbutan-2-yl)heptanoic acid Traditional Name: 2-(methylamino)-3-[1-(2-thenoyl)propyl]enanthic acid Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC)C(=O)C1=CC=CS1)C(C(=O)O)NC

Isomeric SMILES

CCCCC(C(CC)C(=O)C1=CC=CS1)C(C(=O)O)NC

InChI

InChI=1S/C16H25NO3S/c1-4-6-8-12(14(17-3)16(19)20)11(5-2)15(18)13-9-7-10-21-13/h7,9-12,14,17H,4-6,8H2,1-3H3,(H,19,20)