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

Systemtic Name: (6S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imino-N-methyl-4-oxidanylidene-1,3-thiazinane-6-carboxamide Openeye Name: (6S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide CAS Name: (6S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide IUPAC Name: (6S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide Traditional Name: (6S)-4-keto-2-(4-methoxyphenyl)imino-N-methyl-3-piperonyl-1,3-thiazinane-6-carboxamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC(=O)N(C(=NC2=CC=C(C=C2)OC)S1)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-22-20(26)18-10-19(25)24(11-13-3-8-16-17(9-13)29-12-28-16)21(30-18)23-14-4-6-15(27-2)7-5-14/h3-9,18H,10-12H2,1-2H3,(H,22,26)/t18-/m0/s1