2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethyl 3,4,5-trimethoxybenzoate

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethyl 3,4,5-trimethoxybenzoate Openeye Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]ethyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]ethyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 2-[(3-chlorobenzothiophene-2-carbonyl)amino]ethyl ester Formula: C21H20ClNO6S MolecularWeight: 449.9046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H20ClNO6S/c1-26-14-10-12(11-15(27-2)18(14)28-3)21(25)29-9-8-23-20(24)19-17(22)13-6-4-5-7-16(13)30-19/h4-7,10-11H,8-9H2,1-3H3,(H,23,24)