3-[4-[(6-methyl-1-benzothiophen-3-yl)carbonyl]phenyl]prop-2-ynyl methanesulfonate

Systemtic Name: 3-[4-[(6-methyl-1-benzothiophen-3-yl)carbonyl]phenyl]prop-2-ynyl methanesulfonate Openeye Name: 3-[4-(6-methylbenzothiophene-3-carbonyl)phenyl]prop-2-ynyl methanesulfonate CAS Name: methanesulfonic acid 3-[4-[(6-methyl-1-benzothiophen-3-yl)-oxomethyl]phenyl]prop-2-ynyl ester IUPAC Name: 3-[4-(6-methyl-1-benzothiophene-3-carbonyl)phenyl]prop-2-ynyl methanesulfonate Traditional Name: methanesulfonic acid 3-[4-(6-methylbenzothiophene-3-carbonyl)phenyl]prop-2-ynyl ester Formula: C20H16O4S2 MolecularWeight: 384.46864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CS2)C(=O)C3=CC=C(C=C3)C#CCOS(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CS2)C(=O)C3=CC=C(C=C3)C#CCOS(=O)(=O)C

InChI

InChI=1S/C20H16O4S2/c1-14-5-10-17-18(13-25-19(17)12-14)20(21)16-8-6-15(7-9-16)4-3-11-24-26(2,22)23/h5-10,12-13H,11H2,1-2H3