[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C21H28N2O4S/c1-15(21(26)22-16-8-4-2-3-5-9-16)27-20(25)12-13-23-17-10-6-7-11-18(17)28-14-19(23)24/h6-7,10-11,15-16H,2-5,8-9,12-14H2,1H3,(H,22,26)/t15-/m1/s1