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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C18H18O4S/c1-21-17(19)10-12-6-8-14(9-7-12)22-18(20)16-11-13-4-2-3-5-15(13)23-16/h6-9,11H,2-5,10H2,1H3