3-cyanopropyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]benzoate

Systemtic Name: 3-cyanopropyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]benzoate Openeye Name: 3-cyanopropyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate CAS Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate Traditional Name: 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]benzoic acid 3-cyanopropyl ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=C(C=C3)C(=O)OCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=C(C=C3)C(=O)OCCCC#N

InChI

InChI=1S/C18H15N3O4S/c19-11-3-4-12-25-18(22)13-7-9-14(10-8-13)20-17-15-5-1-2-6-16(15)26(23,24)21-17/h1-2,5-10H,3-4,12H2,(H,20,21)