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

Systemtic Name: furan-2-ylmethyl 2-(4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: 2-furylmethyl 2-(4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanoic acid 2-furanylmethyl ester IUPAC Name: furan-2-ylmethyl 2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 2-(4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)propionic acid 2-furfuryl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CO1)N2C=NC3=C(C2=O)C4=C(S3)CCCC4

Isomeric SMILES

CC(C(=O)OCC1=CC=CO1)N2C=NC3=C(C2=O)C4=C(S3)CCCC4

InChI

InChI=1S/C18H18N2O4S/c1-11(18(22)24-9-12-5-4-8-23-12)20-10-19-16-15(17(20)21)13-6-2-3-7-14(13)25-16/h4-5,8,10-11H,2-3,6-7,9H2,1H3