[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C16H15BrO3S2 MolecularWeight: 399.3225

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H15BrO3S2/c1-9-2-3-12-10(6-9)7-14(21-12)16(19)20-8-11(18)13-4-5-15(17)22-13/h4-5,7,9H,2-3,6,8H2,1H3