2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3,4-dimethylbenzoate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3,4-dimethylbenzoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C

InChI

InChI=1S/C18H17NO5S/c1-12-7-8-14(11-13(12)2)18(21)24-10-9-19-17(20)15-5-3-4-6-16(15)25(19,22)23/h3-8,11H,9-10H2,1-2H3