ethyl N-[2-[2-(4-methanethioylcyclohexyl)butoxy]-4-oxidanylidene-3,1-benzoxazin-7-yl]carbamate

Systemtic Name: ethyl N-[2-[2-(4-methanethioylcyclohexyl)butoxy]-4-oxidanylidene-3,1-benzoxazin-7-yl]carbamate Openeye Name: ethyl N-[2-[2-(4-methanethioylcyclohexyl)butoxy]-4-oxo-3,1-benzoxazin-7-yl]carbamate CAS Name: N-[2-[2-(4-methanethioylcyclohexyl)butoxy]-4-oxo-3,1-benzoxazin-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[2-(4-methanethioylcyclohexyl)butoxy]-4-oxo-3,1-benzoxazin-7-yl]carbamate Traditional Name: N-[4-keto-2-[2-(4-thioformylcyclohexyl)butoxy]-3,1-benzoxazin-7-yl]carbamic acid ethyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COC1=NC2=C(C=CC(=C2)NC(=O)OCC)C(=O)O1)C3CCC(CC3)C=S

Isomeric SMILES

CCC(COC1=NC2=C(C=CC(=C2)NC(=O)OCC)C(=O)O1)C3CCC(CC3)C=S

InChI

InChI=1S/C22H28N2O5S/c1-3-15(16-7-5-14(13-30)6-8-16)12-28-22-24-19-11-17(23-21(26)27-4-2)9-10-18(19)20(25)29-22/h9-11,13-16H,3-8,12H2,1-2H3,(H,23,26)