ethyl (3S,6S)-6-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylate

Systemtic Name: ethyl (3S,6S)-6-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylate Openeye Name: ethyl (3S,6S)-6-[2-(4-ethylanilino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylate CAS Name: (3S,6S)-6-[2-(4-ethylanilino)-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,6S)-6-[2-(4-ethylanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate Traditional Name: (3S,6S)-6-[2-(4-ethylanilino)-2-keto-ethyl]-5-keto-thiomorpholine-3-carboxylic acid ethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(CS2)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)N[C@H](CS2)C(=O)OCC

InChI

InChI=1S/C17H22N2O4S/c1-3-11-5-7-12(8-6-11)18-15(20)9-14-16(21)19-13(10-24-14)17(22)23-4-2/h5-8,13-14H,3-4,9-10H2,1-2H3,(H,18,20)(H,19,21)/t13-,14+/m1/s1