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

Systemtic Name: ethyl 5-ethyl-2-[2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O4S3 MolecularWeight: 463.59344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C)C(=O)OCC

InChI

InChI=1S/C20H21N3O4S3/c1-4-8-23-18(25)13-7-9-28-16(13)22-20(23)29-11-15(24)21-17-14(19(26)27-6-3)10-12(5-2)30-17/h4,7,9-10H,1,5-6,8,11H2,2-3H3,(H,21,24)