phenyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanesulfonate

Systemtic Name: phenyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanesulfonate Openeye Name: phenyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanesulfonate CAS Name: 2-[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanesulfonate Traditional Name: 2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]ethanesulfonic acid phenyl ester Formula: C17H18N2O3S3 MolecularWeight: 394.53142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SCCS(=O)(=O)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SCCS(=O)(=O)OC3=CC=CC=C3)C

InChI

InChI=1S/C17H18N2O3S3/c1-11-12(2)24-17-15(11)16(18-13(3)19-17)23-9-10-25(20,21)22-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3