ethyl 4-[3-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[3-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]propanoylamino]benzoic acid ethyl ester Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C

InChI

InChI=1S/C23H25N3O4S2/c1-5-12-26-21(28)19-14(3)15(4)32-20(19)25-23(26)31-13-11-18(27)24-17-9-7-16(8-10-17)22(29)30-6-2/h5,7-10H,1,6,11-13H2,2-4H3,(H,24,27)