methyl 4-chloranyl-5-[3-(dimethylamino)propyl-phenyl-carbamoyl]thieno[2,3-b]thiophene-2-carboxylate

Systemtic Name: methyl 4-chloranyl-5-[3-(dimethylamino)propyl-phenyl-carbamoyl]thieno[2,3-b]thiophene-2-carboxylate Openeye Name: methyl 4-chloro-5-[3-(dimethylamino)propyl-phenyl-carbamoyl]thieno[2,3-b]thiophene-2-carboxylate CAS Name: 4-chloro-5-[[N-[3-(dimethylamino)propyl]anilino]-oxomethyl]-2-thieno[2,3-b]thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-chloro-5-[3-(dimethylamino)propyl-phenylcarbamoyl]thieno[2,3-b]thiophene-2-carboxylate Traditional Name: 4-chloro-5-[3-(dimethylamino)propyl-phenyl-carbamoyl]thieno[2,3-b]thiophene-2-carboxylic acid methyl ester Formula: C20H21ClN2O3S2 MolecularWeight: 436.97534

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=CC=CC=C1)C(=O)C2=C(C3=C(S2)SC(=C3)C(=O)OC)Cl

Isomeric SMILES

CN(C)CCCN(C1=CC=CC=C1)C(=O)C2=C(C3=C(S2)SC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C20H21ClN2O3S2/c1-22(2)10-7-11-23(13-8-5-4-6-9-13)18(24)17-16(21)14-12-15(19(25)26-3)27-20(14)28-17/h4-6,8-9,12H,7,10-11H2,1-3H3