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

Systemtic Name: methyl 4-[[2-(3-ethyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[3-ethyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(3-ethyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[3-ethyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C23H21N3O4S3 MolecularWeight: 499.62554

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC)SC=C2C4=CC=CS4

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC)SC=C2C4=CC=CS4

InChI

InChI=1S/C23H21N3O4S3/c1-3-26-21(28)19-16(17-5-4-10-31-17)12-32-20(19)25-23(26)33-13-18(27)24-11-14-6-8-15(9-7-14)22(29)30-2/h4-10,12H,3,11,13H2,1-2H3,(H,24,27)