[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)COC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)COC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C18H18O4S/c1-21-14-7-4-6-12(9-14)15(19)11-22-18(20)17-10-13-5-2-3-8-16(13)23-17/h4,6-7,9-10H,2-3,5,8,11H2,1H3