methyl 4-(3-methyl-2-morpholin-4-yl-1-benzothiophen-5-yl)benzoate

Systemtic Name: methyl 4-(3-methyl-2-morpholin-4-yl-1-benzothiophen-5-yl)benzoate Openeye Name: methyl 4-(3-methyl-2-morpholino-benzothiophen-5-yl)benzoate CAS Name: 4-[3-methyl-2-(4-morpholinyl)-1-benzothiophen-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-(3-methyl-2-morpholin-4-yl-1-benzothiophen-5-yl)benzoate Traditional Name: 4-(3-methyl-2-morpholino-benzothiophen-5-yl)benzoic acid methyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)C3=CC=C(C=C3)C(=O)OC)N4CCOCC4

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)C3=CC=C(C=C3)C(=O)OC)N4CCOCC4

InChI

InChI=1S/C21H21NO3S/c1-14-18-13-17(15-3-5-16(6-4-15)21(23)24-2)7-8-19(18)26-20(14)22-9-11-25-12-10-22/h3-8,13H,9-12H2,1-2H3