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

Systemtic Name: 4-methylsulfanyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]butanoic acid CAS Name: 2-[[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]butanoic acid Traditional Name: 2-[(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]-4-(methylthio)butyric acid Formula: C15H21NO3S2 MolecularWeight: 327.46214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C15H21NO3S2/c1-9-3-4-10-11(8-21-13(10)7-9)14(17)16-12(15(18)19)5-6-20-2/h8-9,12H,3-7H2,1-2H3,(H,16,17)(H,18,19)