(6S)-3-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-fluorophenyl)imino-4-oxidanylidene-1,3-thiazinane-6-carboxamide

Systemtic Name: (6S)-3-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-fluorophenyl)imino-4-oxidanylidene-1,3-thiazinane-6-carboxamide Openeye Name: (6S)-3-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide CAS Name: (6S)-3-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide IUPAC Name: (6S)-3-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide Traditional Name: (6S)-N-ethyl-2-(4-fluorophenyl)imino-4-keto-3-piperonyl-1,3-thiazinane-6-carboxamide Formula: C21H20FN3O4S MolecularWeight: 429.464603

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC(=O)N(C(=NC2=CC=C(C=C2)F)S1)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCNC(=O)[C@@H]1CC(=O)N(C(=NC2=CC=C(C=C2)F)S1)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20FN3O4S/c1-2-23-20(27)18-10-19(26)25(11-13-3-8-16-17(9-13)29-12-28-16)21(30-18)24-15-6-4-14(22)5-7-15/h3-9,18H,2,10-12H2,1H3,(H,23,27)/t18-/m0/s1