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

Systemtic Name: (phenylmethyl) 5-methyl-4-oxidanylidene-2-pentadecoxy-thieno[2,3-d][1,3]oxazine-6-carboxylate Openeye Name: benzyl 5-methyl-4-oxo-2-pentadecoxy-thieno[2,3-d][1,3]oxazine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-pentadecoxy-6-thieno[2,3-d][1,3]oxazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-4-oxo-2-pentadecoxythieno[2,3-d][1,3]oxazine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-pentadecoxy-thieno[2,3-d][1,3]oxazine-6-carboxylic acid benzyl ester Formula: C30H41NO5S MolecularWeight: 527.71524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)O1

Isomeric SMILES

CCCCCCCCCCCCCCCOC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)O1

InChI

InChI=1S/C30H41NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-34-30-31-27-25(28(32)36-30)23(2)26(37-27)29(33)35-22-24-19-16-15-17-20-24/h15-17,19-20H,3-14,18,21-22H2,1-2H3