[2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 3-phenylpropanoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 3-phenylpropanoate Openeye Name: [2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] ester IUPAC Name: [2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]phenyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OC2=CC=CC=C2NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OC2=CC=CC=C2NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H18N2O4S/c25-21(15-14-16-8-2-1-3-9-16)28-19-12-6-5-11-18(19)23-22-17-10-4-7-13-20(17)29(26,27)24-22/h1-13H,14-15H2,(H,23,24)