methyl 5-methylsulfanyl-4-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]thiophene-2-carboxylate

Systemtic Name: methyl 5-methylsulfanyl-4-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]thiophene-2-carboxylate Openeye Name: methyl 5-methylsulfanyl-4-[2-(3-phenylpropylamino)thiazol-4-yl]thiophene-2-carboxylate CAS Name: 5-(methylthio)-4-[2-(3-phenylpropylamino)-4-thiazolyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methylsulfanyl-4-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]thiophene-2-carboxylate Traditional Name: 5-(methylthio)-4-[2-(3-phenylpropylamino)thiazol-4-yl]thiophene-2-carboxylic acid methyl ester Formula: C19H20N2O2S3 MolecularWeight: 404.5693

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NCCCC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O2S3/c1-23-17(22)16-11-14(18(24-2)26-16)15-12-25-19(21-15)20-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,20,21)