ethyl 2-[2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H25N3O4S3 MolecularWeight: 539.6894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C(=C(S4)C)C)C(=O)N3CC=C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C(=C(S4)C)C)C(=O)N3CC=C

InChI

InChI=1S/C26H25N3O4S3/c1-5-12-29-24(31)21-15(3)16(4)35-23(21)28-26(29)34-14-20(30)27-22-18(25(32)33-6-2)13-19(36-22)17-10-8-7-9-11-17/h5,7-11,13H,1,6,12,14H2,2-4H3,(H,27,30)