butyl 2-[(2S)-6-(2-azanyl-1,3-thiazol-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanoate

Systemtic Name: butyl 2-[(2S)-6-(2-azanyl-1,3-thiazol-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanoate Openeye Name: butyl 2-[(2S)-6-(2-aminothiazol-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-6-(2-amino-4-thiazolyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-6-(2-amino-1,3-thiazol-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-6-(2-aminothiazol-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid butyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1CC(OC2=C1C=C(C=C2)C3=CSC(=N3)N)C

Isomeric SMILES

CCCCOC(=O)CN1C[C@@H](OC2=C1C=C(C=C2)C3=CSC(=N3)N)C

InChI

InChI=1S/C18H23N3O3S/c1-3-4-7-23-17(22)10-21-9-12(2)24-16-6-5-13(8-15(16)21)14-11-25-18(19)20-14/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H2,19,20)/t12-/m0/s1