[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H23N3O5S MolecularWeight: 393.45732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)CCN1C(=O)CSC2=CC=CC=C21

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)CCN1C(=O)CSC2=CC=CC=C21

InChI

InChI=1S/C18H23N3O5S/c1-18(2,3)20-17(25)19-14(22)10-26-16(24)8-9-21-12-6-4-5-7-13(12)27-11-15(21)23/h4-7H,8-11H2,1-3H3,(H2,19,20,22,25)