4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butyl 4-methylbenzoate

Systemtic Name: 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butyl 4-methylbenzoate Openeye Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butyl ester IUPAC Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]butyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H20N2O4S/c1-14-8-10-15(11-9-14)19(22)25-13-5-4-12-20-18-16-6-2-3-7-17(16)26(23,24)21-18/h2-3,6-11H,4-5,12-13H2,1H3,(H,20,21)