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

Systemtic Name: phenyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanesulfonate Openeye Name: phenyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanesulfonate CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanesulfonate Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]ethanesulfonic acid phenyl ester Formula: C16H16N2O3S3 MolecularWeight: 380.50484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S3/c1-11-12(2)23-16-14(11)15(17-10-18-16)22-8-9-24(19,20)21-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3