ethyl 5-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 5-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-5-oxidanylidene-pentanoate Openeye Name: ethyl 5-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)-5-oxo-pentanoate CAS Name: 5-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-5-oxopentanoate Traditional Name: 5-keto-5-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)valeric acid ethyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC(=O)C1=CC2=C(C=C1)OC(C(=S)N2)C

Isomeric SMILES

CCOC(=O)CCCC(=O)C1=CC2=C(C=C1)OC(C(=S)N2)C

InChI

InChI=1S/C16H19NO4S/c1-3-20-15(19)6-4-5-13(18)11-7-8-14-12(9-11)17-16(22)10(2)21-14/h7-10H,3-6H2,1-2H3,(H,17,22)