[2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxidanylidene-ethyl] 2-phenylsulfanylpropanoate

Systemtic Name: [2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxidanylidene-ethyl] 2-phenylsulfanylpropanoate Openeye Name: [2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxo-ethyl] 2-phenylsulfanylpropanoate CAS Name: 2-(phenylthio)propanoic acid [2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl] ester IUPAC Name: [2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl] 2-phenylsulfanylpropanoate Traditional Name: 2-(phenylthio)propionic acid [2-keto-2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CC(OC2=CC=CC=C21)C(=O)NC)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OCC(=O)N1CC(OC2=CC=CC=C21)C(=O)NC)SC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S/c1-14(29-15-8-4-3-5-9-15)21(26)27-13-19(24)23-12-18(20(25)22-2)28-17-11-7-6-10-16(17)23/h3-11,14,18H,12-13H2,1-2H3,(H,22,25)