3-(dimethylamino)propyl benzo[e][1]benzothiole-4-carboxylate

Systemtic Name: 3-(dimethylamino)propyl benzo[e][1]benzothiole-4-carboxylate Openeye Name: 3-(dimethylamino)propyl benzo[e]benzothiophene-4-carboxylate CAS Name: 4-benzo[e][1]benzothiolecarboxylic acid 3-(dimethylamino)propyl ester IUPAC Name: 3-(dimethylamino)propyl benzo[e][1]benzothiole-4-carboxylate Traditional Name: benzo[e]benzothiophene-4-carboxylic acid 3-(dimethylamino)propyl ester Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC(=O)C1=CC2=CC=CC=C2C3=C1SC=C3

Isomeric SMILES

CN(C)CCCOC(=O)C1=CC2=CC=CC=C2C3=C1SC=C3

InChI

InChI=1S/C18H19NO2S/c1-19(2)9-5-10-21-18(20)16-12-13-6-3-4-7-14(13)15-8-11-22-17(15)16/h3-4,6-8,11-12H,5,9-10H2,1-2H3