2-[2-methoxy-2-methyl-1-(phenylsulfanylamino)pentyl]-5-oxidanylidene-2H-pyrrole-1-carboxylic acid

Systemtic Name: 2-[2-methoxy-2-methyl-1-(phenylsulfanylamino)pentyl]-5-oxidanylidene-2H-pyrrole-1-carboxylic acid Openeye Name: 2-[2-methoxy-2-methyl-1-(phenylsulfanylamino)pentyl]-5-oxo-2H-pyrrole-1-carboxylic acid CAS Name: 2-[2-methoxy-2-methyl-1-[(phenylthio)amino]pentyl]-5-oxo-2H-pyrrole-1-carboxylic acid IUPAC Name: 2-[2-methoxy-2-methyl-1-(phenylsulfanylamino)pentyl]-5-oxo-2H-pyrrole-1-carboxylic acid Traditional Name: 2-keto-5-[2-methoxy-2-methyl-1-[(phenylthio)amino]pentyl]-3-pyrroline-1-carboxylic acid Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(C1C=CC(=O)N1C(=O)O)NSC2=CC=CC=C2)OC

Isomeric SMILES

CCCC(C)(C(C1C=CC(=O)N1C(=O)O)NSC2=CC=CC=C2)OC

InChI

InChI=1S/C18H24N2O4S/c1-4-12-18(2,24-3)16(19-25-13-8-6-5-7-9-13)14-10-11-15(21)20(14)17(22)23/h5-11,14,16,19H,4,12H2,1-3H3,(H,22,23)