methyl 2-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(3-bromo-4,5-dimethoxy-phenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(3-bromo-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(3-bromo-4,5-dimethoxy-phenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H22BrNO5S MolecularWeight: 480.37208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br)OC

InChI

InChI=1S/C21H22BrNO5S/c1-26-15-11-12(10-14(22)19(15)27-2)8-9-17(24)23-20-18(21(25)28-3)13-6-4-5-7-16(13)29-20/h8-11H,4-7H2,1-3H3,(H,23,24)