methyl 3-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-oxidanylidene-1,4-benzothiazin-4-yl]propanoate

Systemtic Name: methyl 3-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-oxidanylidene-1,4-benzothiazin-4-yl]propanoate Openeye Name: methyl 3-[6-[(tert-butoxycarbonylamino)methyl]-3-oxo-1,4-benzothiazin-4-yl]propanoate CAS Name: 3-[6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-oxo-1,4-benzothiazin-4-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-oxo-1,4-benzothiazin-4-yl]propanoate Traditional Name: 3-[6-[(tert-butoxycarbonylamino)methyl]-3-keto-1,4-benzothiazin-4-yl]propionic acid methyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)SCC(=O)N2CCC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)SCC(=O)N2CCC(=O)OC

InChI

InChI=1S/C18H24N2O5S/c1-18(2,3)25-17(23)19-10-12-5-6-14-13(9-12)20(15(21)11-26-14)8-7-16(22)24-4/h5-6,9H,7-8,10-11H2,1-4H3,(H,19,23)