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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]ethyl naphthalene-1-carboxylate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]ethyl naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethyl ester IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethyl naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]ethyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC(=O)C1=CC=CC2=CC=CC=C21)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CN(CCOC(=O)C1=CC=CC2=CC=CC=C21)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H18N2O4S/c1-23(20-18-10-4-5-12-19(18)28(25,26)22-20)13-14-27-21(24)17-11-6-8-15-7-2-3-9-16(15)17/h2-12H,13-14H2,1H3