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

Systemtic Name: ethyl 2-[2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[3-allyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[[3-allyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H23N3O4S4 MolecularWeight: 593.75992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3CC=C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3CC=C

InChI

InChI=1S/C28H23N3O4S4/c1-3-12-31-26(33)22-19(20-11-8-13-36-20)15-38-24(22)30-28(31)39-16-21(32)29-25-23(27(34)35-4-2)18(14-37-25)17-9-6-5-7-10-17/h3,5-11,13-15H,1,4,12,16H2,2H3,(H,29,32)