[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic acid [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-keto-ethyl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)N1CCSC2=CC=CC=C21)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)N1CCSC2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24N2O5S/c1-15(25)23-18(16-7-9-17(28-2)10-8-16)13-22(27)29-14-21(26)24-11-12-30-20-6-4-3-5-19(20)24/h3-10,18H,11-14H2,1-2H3,(H,23,25)