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

Systemtic Name: (phenylmethyl) 2-(heptylamino)-5-methyl-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylate Openeye Name: benzyl 2-(heptylamino)-5-methyl-4-oxo-thieno[2,3-d][1,3]oxazine-6-carboxylate CAS Name: 2-(heptylamino)-5-methyl-4-oxo-6-thieno[2,3-d][1,3]oxazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(heptylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylate Traditional Name: 2-(heptylamino)-4-keto-5-methyl-thieno[2,3-d][1,3]oxazine-6-carboxylic acid benzyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)O1

Isomeric SMILES

CCCCCCCNC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)O1

InChI

InChI=1S/C22H26N2O4S/c1-3-4-5-6-10-13-23-22-24-19-17(20(25)28-22)15(2)18(29-19)21(26)27-14-16-11-8-7-9-12-16/h7-9,11-12H,3-6,10,13-14H2,1-2H3,(H,23,24)