methyl 2-[[(Z)-3-(1-benzothiophen-3-yl)but-2-enoyl]amino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[(Z)-3-(1-benzothiophen-3-yl)but-2-enoyl]amino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[(Z)-3-(benzothiophen-3-yl)but-2-enoyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[(Z)-3-(1-benzothiophen-3-yl)-1-oxobut-2-enyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[(Z)-3-(1-benzothiophen-3-yl)but-2-enoyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[(Z)-3-(benzothiophen-3-yl)but-2-enoyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC(=C(C=C1C(=O)OC)OC)OC)C2=CSC3=CC=CC=C32

Isomeric SMILES

C/C(=C/C(=O)NC1=CC(=C(C=C1C(=O)OC)OC)OC)/C2=CSC3=CC=CC=C32

InChI

InChI=1S/C22H21NO5S/c1-13(16-12-29-20-8-6-5-7-14(16)20)9-21(24)23-17-11-19(27-3)18(26-2)10-15(17)22(25)28-4/h5-12H,1-4H3,(H,23,24)/b13-9-