(3-methyl-4-propan-2-yl-phenyl) 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32)C(C)C

InChI

InChI=1S/C20H22N2O4S/c1-13(2)16-9-8-15(12-14(16)3)26-19(23)10-11-21-20-17-6-4-5-7-18(17)27(24,25)22-20/h4-9,12-13H,10-11H2,1-3H3,(H,21,22)