[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl] 3-(2-azanyl-1,3-thiazol-4-yl)propanoate

Systemtic Name: [5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl] 3-(2-azanyl-1,3-thiazol-4-yl)propanoate Openeye Name: [6-(tert-butoxycarbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl] 3-(2-aminothiazol-4-yl)propanoate CAS Name: 3-(2-amino-4-thiazolyl)propanoic acid [5-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-3,1-benzoxazin-2-yl] ester IUPAC Name: [5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3,1-benzoxazin-2-yl] 3-(2-amino-1,3-thiazol-4-yl)propanoate Traditional Name: 3-(2-aminothiazol-4-yl)propionic acid [6-(tert-butoxycarbonylamino)-4-keto-5-methyl-3,1-benzoxazin-2-yl] ester Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)OC(=O)CCC3=CSC(=N3)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)OC(=O)CCC3=CSC(=N3)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H22N4O6S/c1-10-12(23-18(27)30-20(2,3)4)6-7-13-15(10)16(26)29-19(24-13)28-14(25)8-5-11-9-31-17(21)22-11/h6-7,9H,5,8H2,1-4H3,(H2,21,22)(H,23,27)