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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]propyl benzoate Openeye Name: 3-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)propyl benzoate CAS Name: benzoic acid 3-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)propyl ester IUPAC Name: 3-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)propyl benzoate Traditional Name: benzoic acid 3-(N-(1,1-diketo-1,2-benzothiazol-3-yl)anilino)propyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCN(C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCN(C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H20N2O4S/c26-23(18-10-3-1-4-11-18)29-17-9-16-25(19-12-5-2-6-13-19)22-20-14-7-8-15-21(20)30(27,28)24-22/h1-8,10-15H,9,16-17H2