6-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid

Systemtic Name: 6-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid Openeye Name: 6-[2-(2-ethylanilino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylic acid CAS Name: 6-[2-(2-ethylanilino)-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylic acid IUPAC Name: 6-[2-(2-ethylanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid Traditional Name: 6-[2-(2-ethylanilino)-2-keto-ethyl]-5-keto-thiomorpholine-3-carboxylic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CC2C(=O)NC(CS2)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CC2C(=O)NC(CS2)C(=O)O

InChI

InChI=1S/C15H18N2O4S/c1-2-9-5-3-4-6-10(9)16-13(18)7-12-14(19)17-11(8-22-12)15(20)21/h3-6,11-12H,2,7-8H2,1H3,(H,16,18)(H,17,19)(H,20,21)