methyl 2-(7-acetamido-3-oxidanylidene-1,4-benzothiazin-4-yl)-3-(4-methoxyphenyl)propanoate

Systemtic Name: methyl 2-(7-acetamido-3-oxidanylidene-1,4-benzothiazin-4-yl)-3-(4-methoxyphenyl)propanoate Openeye Name: methyl 2-(7-acetamido-3-oxo-1,4-benzothiazin-4-yl)-3-(4-methoxyphenyl)propanoate CAS Name: 2-(7-acetamido-3-oxo-1,4-benzothiazin-4-yl)-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-(7-acetamido-3-oxo-1,4-benzothiazin-4-yl)-3-(4-methoxyphenyl)propanoate Traditional Name: 2-(7-acetamido-3-keto-1,4-benzothiazin-4-yl)-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=O)CS2)C(CC3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=O)CS2)C(CC3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C21H22N2O5S/c1-13(24)22-15-6-9-17-19(11-15)29-12-20(25)23(17)18(21(26)28-3)10-14-4-7-16(27-2)8-5-14/h4-9,11,18H,10,12H2,1-3H3,(H,22,24)