4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butyl benzoate

Systemtic Name: 4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butyl benzoate Openeye Name: 4-(2-thioxo-1,3-benzothiazol-3-yl)butyl benzoate CAS Name: benzoic acid 4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butyl ester IUPAC Name: 4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butyl benzoate Traditional Name: benzoic acid 4-(2-thioxo-1,3-benzothiazol-3-yl)butyl ester Formula: C18H17NO2S2 MolecularWeight: 343.46308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCCN2C3=CC=CC=C3SC2=S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCCN2C3=CC=CC=C3SC2=S

InChI

InChI=1S/C18H17NO2S2/c20-17(14-8-2-1-3-9-14)21-13-7-6-12-19-15-10-4-5-11-16(15)23-18(19)22/h1-5,8-11H,6-7,12-13H2