2-[2-[(4-methoxyphenyl)methyl]-7-(methylcarbamoylamino)-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-methoxyphenyl)methyl]-7-(methylcarbamoylamino)-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoic acid Openeye Name: 2-[2-[(4-methoxyphenyl)methyl]-7-(methylcarbamoylamino)-3-oxo-1,4-benzothiazin-4-yl]acetic acid CAS Name: 2-[2-[(4-methoxyphenyl)methyl]-7-(methylcarbamoylamino)-3-oxo-1,4-benzothiazin-4-yl]acetic acid IUPAC Name: 2-[2-[(4-methoxyphenyl)methyl]-7-(methylcarbamoylamino)-3-oxo-1,4-benzothiazin-4-yl]acetic acid Traditional Name: 2-[3-keto-7-(methylcarbamoylamino)-2-p-anisyl-1,4-benzothiazin-4-yl]acetic acid Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CC2=C(C=C1)N(C(=O)C(S2)CC3=CC=C(C=C3)OC)CC(=O)O

Isomeric SMILES

CNC(=O)NC1=CC2=C(C=C1)N(C(=O)C(S2)CC3=CC=C(C=C3)OC)CC(=O)O

InChI

InChI=1S/C20H21N3O5S/c1-21-20(27)22-13-5-8-15-16(10-13)29-17(19(26)23(15)11-18(24)25)9-12-3-6-14(28-2)7-4-12/h3-8,10,17H,9,11H2,1-2H3,(H,24,25)(H2,21,22,27)