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

Systemtic Name: (phenylmethyl) 5-methyl-2-(octan-2-ylamino)-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylate Openeye Name: benzyl 5-methyl-2-(1-methylheptylamino)-4-oxo-thieno[2,3-d][1,3]oxazine-6-carboxylate CAS Name: 5-methyl-2-(octan-2-ylamino)-4-oxo-6-thieno[2,3-d][1,3]oxazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-2-(octan-2-ylamino)-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(1-methylheptylamino)thieno[2,3-d][1,3]oxazine-6-carboxylic acid benzyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)O1

Isomeric SMILES

CCCCCCC(C)NC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)O1

InChI

InChI=1S/C23H28N2O4S/c1-4-5-6-8-11-15(2)24-23-25-20-18(21(26)29-23)16(3)19(30-20)22(27)28-14-17-12-9-7-10-13-17/h7,9-10,12-13,15H,4-6,8,11,14H2,1-3H3,(H,24,25)