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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]propyl 4-methoxybenzoate Openeye Name: 3-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)propyl 4-methoxybenzoate CAS Name: 4-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 4-methoxybenzoate Traditional Name: 4-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=C(C=C1)C(=O)OCCCN(C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCCCN(C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

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