(3-chloranyl-1-benzothiophen-2-yl)methyl 2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]acetic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,4,5-trimethoxybenzoyl)amino]acetic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C21H20ClNO6S MolecularWeight: 449.9046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)OCC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)OCC2=C(C3=CC=CC=C3S2)Cl

InChI

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