phenanthridin-6-ylmethyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate

Systemtic Name: phenanthridin-6-ylmethyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate Openeye Name: phenanthridin-6-ylmethyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoate CAS Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoate Traditional Name: 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]butyric acid phenanthridin-6-ylmethyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)CCCNC4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)CCCNC4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C25H21N3O4S/c29-24(14-7-15-26-25-20-11-4-6-13-23(20)33(30,31)28-25)32-16-22-19-10-2-1-8-17(19)18-9-3-5-12-21(18)27-22/h1-6,8-13H,7,14-16H2,(H,26,28)