6-[5-[(ethanethioylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid

Systemtic Name: 6-[5-[(ethanethioylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 6-[5-[(ethanethioylamino)methyl]-2-oxo-oxazolidin-3-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 2-methyl-6-[2-oxo-5-[(1-sulfanylideneethylamino)methyl]-3-oxazolidinyl]-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 6-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 6-[2-keto-5-[(thioacetylamino)methyl]oxazolidin-3-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(N1C(=O)O)C=CC(=C2)N3CC(OC3=O)CNC(=S)C

Isomeric SMILES

CC1CCC2=C(N1C(=O)O)C=CC(=C2)N3CC(OC3=O)CNC(=S)C

InChI

InChI=1S/C17H21N3O4S/c1-10-3-4-12-7-13(5-6-15(12)20(10)16(21)22)19-9-14(24-17(19)23)8-18-11(2)25/h5-7,10,14H,3-4,8-9H2,1-2H3,(H,18,25)(H,21,22)