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

Systemtic Name: nonan-5-yl 5-methyl-2-(octylamino)-4-oxidanylidene-thieno[2,3-d][1,3]oxazine-6-carboxylate Openeye Name: 1-butylpentyl 5-methyl-2-(octylamino)-4-oxo-thieno[2,3-d][1,3]oxazine-6-carboxylate CAS Name: 5-methyl-2-(octylamino)-4-oxo-6-thieno[2,3-d][1,3]oxazinecarboxylic acid nonan-5-yl ester IUPAC Name: nonan-5-yl 5-methyl-2-(octylamino)-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(octylamino)thieno[2,3-d][1,3]oxazine-6-carboxylic acid 1-butylpentyl ester Formula: C25H40N2O4S MolecularWeight: 464.6611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=NC2=C(C(=C(S2)C(=O)OC(CCCC)CCCC)C)C(=O)O1

Isomeric SMILES

CCCCCCCCNC1=NC2=C(C(=C(S2)C(=O)OC(CCCC)CCCC)C)C(=O)O1

InChI

InChI=1S/C25H40N2O4S/c1-5-8-11-12-13-14-17-26-25-27-22-20(23(28)31-25)18(4)21(32-22)24(29)30-19(15-9-6-2)16-10-7-3/h19H,5-17H2,1-4H3,(H,26,27)