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

Systemtic Name: tert-butyl N-[1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-1-pyridin-4-yl-ethyl]carbamate Openeye Name: tert-butyl N-[1-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)-1-(4-pyridyl)ethyl]carbamate CAS Name: N-[1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-1-pyridin-4-ylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-1-pyridin-4-ylethyl]carbamate Traditional Name: N-[1-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)-1-(4-pyridyl)ethyl]carbamic acid tert-butyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=S)NC2=C(O1)C=CC(=C2)C(C)(C3=CC=NC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1C(=S)NC2=C(O1)C=CC(=C2)C(C)(C3=CC=NC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H25N3O3S/c1-13-18(28)23-16-12-15(6-7-17(16)26-13)21(5,14-8-10-22-11-9-14)24-19(25)27-20(2,3)4/h6-13H,1-5H3,(H,23,28)(H,24,25)