(phenylmethyl) 2-(dioctylamino)-5-methyl-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylate

Systemtic Name: (phenylmethyl) 2-(dioctylamino)-5-methyl-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylate Openeye Name: benzyl 2-(dioctylamino)-5-methyl-4-oxo-thieno[2,3-d][1,3]oxazine-6-carboxylate CAS Name: 2-(dioctylamino)-5-methyl-4-oxo-6-thieno[2,3-d][1,3]oxazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(dioctylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylate Traditional Name: 2-(dioctylamino)-4-keto-5-methyl-thieno[2,3-d][1,3]oxazine-6-carboxylic acid benzyl ester Formula: C31H44N2O4S MolecularWeight: 540.75706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)O1

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)O1

InChI

InChI=1S/C31H44N2O4S/c1-4-6-8-10-12-17-21-33(22-18-13-11-9-7-5-2)31-32-28-26(29(34)37-31)24(3)27(38-28)30(35)36-23-25-19-15-14-16-20-25/h14-16,19-20H,4-13,17-18,21-23H2,1-3H3