ethyl 2-oxidanylidene-5-phenoxy-4-propylsulfanyl-3H-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-5-phenoxy-4-propylsulfanyl-3H-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-oxo-5-phenoxy-4-propylsulfanyl-3H-1,3-benzothiazole-6-carboxylate CAS Name: 2-oxo-5-phenoxy-4-(propylthio)-3H-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-5-phenoxy-4-propylsulfanyl-3H-1,3-benzothiazole-6-carboxylate Traditional Name: 2-keto-5-phenoxy-4-(propylthio)-3H-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H19NO4S2 MolecularWeight: 389.48846

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=CC2=C1NC(=O)S2)C(=O)OCC)OC3=CC=CC=C3

Isomeric SMILES

CCCSC1=C(C(=CC2=C1NC(=O)S2)C(=O)OCC)OC3=CC=CC=C3

InChI

InChI=1S/C19H19NO4S2/c1-3-10-25-17-15-14(26-19(22)20-15)11-13(18(21)23-4-2)16(17)24-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,20,22)