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

Systemtic Name: 2-cyclopropyl-2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]propanoic acid Openeye Name: 2-cyclopropyl-2-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]propanoic acid CAS Name: 2-cyclopropyl-2-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-cyclopropyl-2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]propanoic acid Traditional Name: 2-cyclopropyl-2-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]propionic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC(C)(C3CC3)C(=O)O

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NC(C)(C3CC3)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-9-3-6-12-10(7-9)8-13(21-12)14(18)17-16(2,15(19)20)11-4-5-11/h8-9,11H,3-7H2,1-2H3,(H,17,18)(H,19,20)