tert-butyl 2-(4-methyl-2-oxidanylidene-4-thiophen-2-yl-1H-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-(4-methyl-2-oxidanylidene-4-thiophen-2-yl-1H-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[4-methyl-2-oxo-4-(2-thienyl)-1H-3,1-benzoxazin-6-yl]pyrrole-1-carboxylate CAS Name: 2-(4-methyl-2-oxo-4-thiophen-2-yl-1H-3,1-benzoxazin-6-yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-methyl-2-oxo-4-thiophen-2-yl-1H-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate Traditional Name: 2-[2-keto-4-methyl-4-(2-thienyl)-1H-3,1-benzoxazin-6-yl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=CN3C(=O)OC(C)(C)C)NC(=O)O1)C4=CC=CS4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=CN3C(=O)OC(C)(C)C)NC(=O)O1)C4=CC=CS4

InChI

InChI=1S/C22H22N2O4S/c1-21(2,3)28-20(26)24-11-5-7-17(24)14-9-10-16-15(13-14)22(4,27-19(25)23-16)18-8-6-12-29-18/h5-13H,1-4H3,(H,23,25)