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

Systemtic Name: 2-phenyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxylic acid Openeye Name: 2-phenyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxylic acid CAS Name: 2-phenyl-8-(propylthio)-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxylic acid IUPAC Name: 2-phenyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxylic acid Traditional Name: 2-phenyl-8-(propylthio)-4,5-dihydrothieno[3,4-e][1,3]benzothiazole-6-carboxylic acid Formula: C19H17NO2S3 MolecularWeight: 387.53878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO2S3/c1-2-10-23-19-14-12(16(25-19)18(21)22)8-9-13-15(14)20-17(24-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,21,22)