tert-butyl N-[1-(2-ethyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-1-thiophen-2-yl-ethyl]carbamate

Systemtic Name: tert-butyl N-[1-(2-ethyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-1-thiophen-2-yl-ethyl]carbamate Openeye Name: tert-butyl N-[1-(2-ethyl-3-thioxo-4H-1,4-benzoxazin-6-yl)-1-(2-thienyl)ethyl]carbamate CAS Name: N-[1-(2-ethyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-1-thiophen-2-ylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-ethyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-1-thiophen-2-ylethyl]carbamate Traditional Name: N-[1-(2-ethyl-3-thioxo-4H-1,4-benzoxazin-6-yl)-1-(2-thienyl)ethyl]carbamic acid tert-butyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=S)NC2=C(O1)C=CC(=C2)C(C)(C3=CC=CS3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC1C(=S)NC2=C(O1)C=CC(=C2)C(C)(C3=CC=CS3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H26N2O3S2/c1-6-15-18(27)22-14-12-13(9-10-16(14)25-15)21(5,17-8-7-11-28-17)23-19(24)26-20(2,3)4/h7-12,15H,6H2,1-5H3,(H,22,27)(H,23,24)