ethyl 3-[2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H19N3O4S3 MolecularWeight: 485.59896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C=CS4)C(=O)N3C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C=CS4)C(=O)N3C

InChI

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