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

Systemtic Name: tert-butyl N-[1-(3-azanyl-2-ethyl-4H-1,4-benzoxazin-6-yl)-1-thiophen-2-yl-ethyl]carbamate Openeye Name: tert-butyl N-[1-(3-amino-2-ethyl-4H-1,4-benzoxazin-6-yl)-1-(2-thienyl)ethyl]carbamate CAS Name: N-[1-(3-amino-2-ethyl-4H-1,4-benzoxazin-6-yl)-1-thiophen-2-ylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(3-amino-2-ethyl-4H-1,4-benzoxazin-6-yl)-1-thiophen-2-ylethyl]carbamate Traditional Name: N-[1-(3-amino-2-ethyl-4H-1,4-benzoxazin-6-yl)-1-(2-thienyl)ethyl]carbamic acid tert-butyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC2=C(O1)C=CC(=C2)C(C)(C3=CC=CS3)NC(=O)OC(C)(C)C)N

Isomeric SMILES

CCC1=C(NC2=C(O1)C=CC(=C2)C(C)(C3=CC=CS3)NC(=O)OC(C)(C)C)N

InChI

InChI=1S/C21H27N3O3S/c1-6-15-18(22)23-14-12-13(9-10-16(14)26-15)21(5,17-8-7-11-28-17)24-19(25)27-20(2,3)4/h7-12,23H,6,22H2,1-5H3,(H,24,25)