1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)cyclohexane-1-carboxylic acid

Systemtic Name: 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)cyclohexane-1-carboxylic acid Openeye Name: 1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)cyclohexanecarboxylic acid CAS Name: 1-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)cyclohexane-1-carboxylic acid Traditional Name: 1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)cyclohexanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)O)NC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

C1CCC(CC1)(C(=O)O)NC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C16H21NO3S/c18-14(13-10-11-6-2-3-7-12(11)21-13)17-16(15(19)20)8-4-1-5-9-16/h10H,1-9H2,(H,17,18)(H,19,20)