phenyl 2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate

Systemtic Name: phenyl 2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate Openeye Name: phenyl 2-[3-allyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylethanesulfonate CAS Name: 2-[(4-oxo-3-prop-2-enyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate Traditional Name: 2-[[3-allyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C21H18N2O4S4 MolecularWeight: 490.63862

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCCS(=O)(=O)OC3=CC=CC=C3)SC=C2C4=CC=CS4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCCS(=O)(=O)OC3=CC=CC=C3)SC=C2C4=CC=CS4

InChI

InChI=1S/C21H18N2O4S4/c1-2-10-23-20(24)18-16(17-9-6-11-28-17)14-30-19(18)22-21(23)29-12-13-31(25,26)27-15-7-4-3-5-8-15/h2-9,11,14H,1,10,12-13H2