methyl 4-[2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-allyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-allyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C23H19N3O4S3 MolecularWeight: 497.60966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC=C

InChI

InChI=1S/C23H19N3O4S3/c1-3-10-26-21(28)19-16(17-5-4-11-31-17)12-32-20(19)25-23(26)33-13-18(27)24-15-8-6-14(7-9-15)22(29)30-2/h3-9,11-12H,1,10,13H2,2H3,(H,24,27)