methyl 4-[[2-oxidanylidene-2-[(4-thiophen-2-yloxan-4-yl)methylamino]ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-oxidanylidene-2-[(4-thiophen-2-yloxan-4-yl)methylamino]ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-oxo-2-[[4-(2-thienyl)tetrahydropyran-4-yl]methylamino]acetyl]amino]benzoate CAS Name: 4-[[1,2-dioxo-2-[(4-thiophen-2-yl-4-oxanyl)methylamino]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-oxo-2-[(4-thiophen-2-yloxan-4-yl)methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[[4-(2-thienyl)tetrahydropyran-4-yl]methylamino]acetyl]amino]benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2(CCOCC2)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2(CCOCC2)C3=CC=CS3

InChI

InChI=1S/C20H22N2O5S/c1-26-19(25)14-4-6-15(7-5-14)22-18(24)17(23)21-13-20(8-10-27-11-9-20)16-3-2-12-28-16/h2-7,12H,8-11,13H2,1H3,(H,21,23)(H,22,24)