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

Systemtic Name: methyl 4-methyl-3-[2-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methylthio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H19N3O4S3 MolecularWeight: 485.59896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C22H19N3O4S3/c1-12-5-6-13(22(28)29-2)8-15(12)23-18(26)11-30-10-17-24-20(27)19-14(9-32-21(19)25-17)16-4-3-7-31-16/h3-9H,10-11H2,1-2H3,(H,23,26)(H,24,25,27)