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

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H18N2O5S2/c21-14(15-7-4-12-26-15)6-3-11-25-17(22)9-10-19-18-13-5-1-2-8-16(13)27(23,24)20-18/h1-2,4-5,7-8,12H,3,6,9-11H2,(H,19,20)