ethyl 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: ethyl 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-morpholin-4-yl-benzoate Openeye Name: ethyl 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-morpholino-benzoate CAS Name: 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-morpholino-benzoic acid ethyl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-2-29-22(27)14-7-8-17(25-9-11-28-12-10-25)16(13-14)24-21(26)20-19(23)15-5-3-4-6-18(15)30-20/h3-8,13H,2,9-12H2,1H3,(H,24,26)