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

Systemtic Name: methyl 4-methyl-3-[2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[3-methyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-methyl-3-[[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-methyl-3-[[2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[4-keto-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]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)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2C

InChI

InChI=1S/C22H19N3O4S3/c1-12-6-7-13(21(28)29-3)9-15(12)23-17(26)11-32-22-24-19-18(20(27)25(22)2)14(10-31-19)16-5-4-8-30-16/h4-10H,11H2,1-3H3,(H,23,26)