2-oxidanylidenepropyl 3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate

Systemtic Name: 2-oxidanylidenepropyl 3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Openeye Name: acetonyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)propanoate CAS Name: 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Traditional Name: 3-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)propionic acid acetonyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)CCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1

Isomeric SMILES

CC(=O)COC(=O)CCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1

InChI

InChI=1S/C16H18N2O4S/c1-9(19)8-22-13(20)7-6-12-17-15(21)14-10-4-2-3-5-11(10)23-16(14)18-12/h2-8H2,1H3,(H,17,18,21)