tert-butyl 2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-[3-allyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[(4-oxo-3-prop-2-enyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[[3-allyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid tert-butyl ester Formula: C19H20N2O3S3 MolecularWeight: 420.5687

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1CC=C

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1CC=C

InChI

InChI=1S/C19H20N2O3S3/c1-5-8-21-17(23)15-12(13-7-6-9-25-13)10-26-16(15)20-18(21)27-11-14(22)24-19(2,3)4/h5-7,9-10H,1,8,11H2,2-4H3