phenyl 2-[(4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[(4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(3-allyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanesulfonate CAS Name: 2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(3-allyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C21H22N2O4S3 MolecularWeight: 462.60538

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCCS(=O)(=O)OC3=CC=CC=C3)SC4=C2CCCC4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCCS(=O)(=O)OC3=CC=CC=C3)SC4=C2CCCC4

InChI

InChI=1S/C21H22N2O4S3/c1-2-12-23-20(24)18-16-10-6-7-11-17(16)29-19(18)22-21(23)28-13-14-30(25,26)27-15-8-4-3-5-9-15/h2-5,8-9H,1,6-7,10-14H2