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

Systemtic Name: (phenylmethyl) 5-methyl-2-(nonan-5-ylamino)-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylate Openeye Name: benzyl 2-(1-butylpentylamino)-5-methyl-4-oxo-thieno[2,3-d][1,3]oxazine-6-carboxylate CAS Name: 5-methyl-2-(nonan-5-ylamino)-4-oxo-6-thieno[2,3-d][1,3]oxazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-2-(nonan-5-ylamino)-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylate Traditional Name: 2-(1-butylpentylamino)-4-keto-5-methyl-thieno[2,3-d][1,3]oxazine-6-carboxylic acid benzyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4S/c1-4-6-13-18(14-7-5-2)25-24-26-21-19(22(27)30-24)16(3)20(31-21)23(28)29-15-17-11-9-8-10-12-17/h8-12,18H,4-7,13-15H2,1-3H3,(H,25,26)