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

Systemtic Name: 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butyl naphthalene-1-carboxylate Openeye Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butyl naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic 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 naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]butyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)OCCCCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)OCCCCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H20N2O4S/c25-22(18-12-7-9-16-8-1-2-10-17(16)18)28-15-6-5-14-23-21-19-11-3-4-13-20(19)29(26,27)24-21/h1-4,7-13H,5-6,14-15H2,(H,23,24)