ethyl 2-phenyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-phenyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxylate Openeye Name: ethyl 2-phenyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxylate CAS Name: 2-phenyl-8-(propylthio)-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-phenyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxylate Traditional Name: 2-phenyl-8-(propylthio)-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxylic acid ethyl ester Formula: C21H21NO2S3 MolecularWeight: 415.59194

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C2C(=C(S1)C(=O)OCC)CCC3=C2N=C(S3)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=C2C(=C(S1)C(=O)OCC)CCC3=C2N=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO2S3/c1-3-12-25-21-16-14(18(27-21)20(23)24-4-2)10-11-15-17(16)22-19(26-15)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3