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

Systemtic Name: tert-butyl N-[1-(2-propyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-1-thiophen-2-yl-ethyl]carbamate Openeye Name: tert-butyl N-[1-(2-propyl-3-thioxo-4H-1,4-benzoxazin-6-yl)-1-(2-thienyl)ethyl]carbamate CAS Name: N-[1-(2-propyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-1-thiophen-2-ylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-propyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-1-thiophen-2-ylethyl]carbamate Traditional Name: N-[1-(2-propyl-3-thioxo-4H-1,4-benzoxazin-6-yl)-1-(2-thienyl)ethyl]carbamic acid tert-butyl ester Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=S)NC2=C(O1)C=CC(=C2)C(C)(C3=CC=CS3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC1C(=S)NC2=C(O1)C=CC(=C2)C(C)(C3=CC=CS3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H28N2O3S2/c1-6-8-17-19(28)23-15-13-14(10-11-16(15)26-17)22(5,18-9-7-12-29-18)24-20(25)27-21(2,3)4/h7,9-13,17H,6,8H2,1-5H3,(H,23,28)(H,24,25)