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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate Openeye Name: 1,3-benzothiazol-2-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 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-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 1,3-benzothiazol-2-ylmethyl ester Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17N3O4S2/c23-18(26-12-17-21-14-7-2-3-8-15(14)27-17)10-5-11-20-19-13-6-1-4-9-16(13)28(24,25)22-19/h1-4,6-9H,5,10-12H2,(H,20,22)