[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C19H20O3S3 MolecularWeight: 392.5553

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C19H20O3S3/c1-21-15-10-13(19-23-8-9-24-19)6-7-14(15)22-18(20)17-11-12-4-2-3-5-16(12)25-17/h6-7,10-11,19H,2-5,8-9H2,1H3