2-[methyl-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonyl]amino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[methyl-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonyl]amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[methyl-(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-carbonyl)amino]-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[methyl-[(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 2-[methyl-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carbonyl)amino]-4-sulfanylbutanoic acid Traditional Name: 4-mercapto-2-[methyl-(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-carbonyl)amino]butyric acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)CCCC2)C(=O)N(C)C(CCS)C(=O)O

Isomeric SMILES

CC1=C(C2=C(O1)CCCC2)C(=O)N(C)C(CCS)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-9-13(10-5-3-4-6-12(10)20-9)14(17)16(2)11(7-8-21)15(18)19/h11,21H,3-8H2,1-2H3,(H,18,19)