4-methoxy-1-(sulfanylmethyl)cyclohexane-1-carboxamide; 2-phenylpropanoic acid

Systemtic Name: 4-methoxy-1-(sulfanylmethyl)cyclohexane-1-carboxamide; 2-phenylpropanoic acid Openeye Name: 4-methoxy-1-(sulfanylmethyl)cyclohexanecarboxamide; 2-phenylpropanoic acid CAS Name: 1-(mercaptomethyl)-4-methoxy-1-cyclohexanecarboxamide; 2-phenylpropanoic acid IUPAC Name: 4-methoxy-1-(sulfanylmethyl)cyclohexane-1-carboxamide; 2-phenylpropanoic acid Traditional Name: hydratropic acid; 1-(mercaptomethyl)-4-methoxy-cyclohexanecarboxamide Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)O.COC1CCC(CC1)(CS)C(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)O.COC1CCC(CC1)(CS)C(=O)N

InChI

InChI=1S/C9H17NO2S.C9H10O2/c1-12-7-2-4-9(6-13,5-3-7)8(10)11;1-7(9(10)11)8-5-3-2-4-6-8/h7,13H,2-6H2,1H3,(H2,10,11);2-7H,1H3,(H,10,11)