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

Systemtic Name: ethyl (3S)-6-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylate Openeye Name: ethyl (3S)-6-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylate CAS Name: (3S)-6-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-6-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate Traditional Name: (3S)-6-[2-(4-carbomethoxyanilino)-2-keto-ethyl]-5-keto-thiomorpholine-3-carboxylic acid ethyl ester Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6S/c1-3-25-17(23)12-9-26-13(15(21)19-12)8-14(20)18-11-6-4-10(5-7-11)16(22)24-2/h4-7,12-13H,3,8-9H2,1-2H3,(H,18,20)(H,19,21)/t12-,13?/m1/s1