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

Systemtic Name: methyl 4-[2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-methyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-keto-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H17N3O4S3 MolecularWeight: 471.57238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC)SC=C2C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC)SC=C2C4=CC=CS4

InChI

InChI=1S/C21H17N3O4S3/c1-24-19(26)17-14(15-4-3-9-29-15)10-30-18(17)23-21(24)31-11-16(25)22-13-7-5-12(6-8-13)20(27)28-2/h3-10H,11H2,1-2H3,(H,22,25)