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

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 3-phenylpropanoate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [4-[(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=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OC2=CC=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

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