2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethyl 3,5-dimethoxybenzoate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethyl 3,5-dimethoxybenzoate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl ester IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]ethyl ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCCNC2=NS(=O)(=O)C3=CC=CC=C32)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCCNC2=NS(=O)(=O)C3=CC=CC=C32)OC

InChI

InChI=1S/C18H18N2O6S/c1-24-13-9-12(10-14(11-13)25-2)18(21)26-8-7-19-17-15-5-3-4-6-16(15)27(22,23)20-17/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)