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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]propyl 2-methoxybenzoate Openeye Name: 3-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)propyl 2-methoxybenzoate CAS Name: 2-methoxybenzoic 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 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid 3-(N-(1,1-diketo-1,2-benzothiazol-3-yl)anilino)propyl ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)OCCCN(C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC=C1C(=O)OCCCN(C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C24H22N2O5S/c1-30-21-14-7-5-12-19(21)24(27)31-17-9-16-26(18-10-3-2-4-11-18)23-20-13-6-8-15-22(20)32(28,29)25-23/h2-8,10-15H,9,16-17H2,1H3