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

Systemtic Name: ethyl (3S,6S)-6-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylate Openeye Name: ethyl (3S,6S)-6-[2-(4-methylanilino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylate CAS Name: (3S,6S)-6-[2-(4-methylanilino)-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,6S)-6-[2-(4-methylanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate Traditional Name: (3S,6S)-5-keto-6-[2-keto-2-(p-toluidino)ethyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSC(C(=O)N1)CC(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)[C@H]1CS[C@H](C(=O)N1)CC(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C16H20N2O4S/c1-3-22-16(21)12-9-23-13(15(20)18-12)8-14(19)17-11-6-4-10(2)5-7-11/h4-7,12-13H,3,8-9H2,1-2H3,(H,17,19)(H,18,20)/t12-,13+/m1/s1