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

Systemtic Name: ethyl (3S,6S)-6-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylate Openeye Name: ethyl (3S,6S)-6-[2-(2-ethoxyanilino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylate CAS Name: (3S,6S)-6-[2-(2-ethoxyanilino)-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,6S)-6-[2-(2-ethoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate Traditional Name: (3S,6S)-5-keto-6-[2-keto-2-(o-phenetidino)ethyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CC2C(=O)NC(CS2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C[C@H]2C(=O)N[C@H](CS2)C(=O)OCC

InChI

InChI=1S/C17H22N2O5S/c1-3-23-13-8-6-5-7-11(13)18-15(20)9-14-16(21)19-12(10-25-14)17(22)24-4-2/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,18,20)(H,19,21)/t12-,14+/m1/s1