4-[(2S)-2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-6-yl]-1,3-thiazol-2-amine

Systemtic Name: 4-[(2S)-2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-6-yl]-1,3-thiazol-2-amine Openeye Name: 4-[(2S)-2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-6-yl]thiazol-2-amine CAS Name: 4-[(2S)-2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-6-yl]-2-thiazolamine IUPAC Name: 4-[(2S)-2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-6-yl]-1,3-thiazol-2-amine Traditional Name: [4-[(2S)-4-amyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl]thiazol-2-yl]amine Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CC(OC2=C1C=C(C=C2)C3=CSC(=N3)N)CC

Isomeric SMILES

CCCCCN1C[C@@H](OC2=C1C=C(C=C2)C3=CSC(=N3)N)CC

InChI

InChI=1S/C18H25N3OS/c1-3-5-6-9-21-11-14(4-2)22-17-8-7-13(10-16(17)21)15-12-23-18(19)20-15/h7-8,10,12,14H,3-6,9,11H2,1-2H3,(H2,19,20)/t14-/m0/s1