ethyl 4-methyl-2-[(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 2-[(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC4=C(C=CS4)C(=O)N3CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC4=C(C=CS4)C(=O)N3CC=C)C

InChI

InChI=1S/C23H21N3O3S2/c1-4-11-26-21(27)16-10-12-30-20(16)25-23(26)31-13-18-19(22(28)29-5-2)14(3)15-8-6-7-9-17(15)24-18/h4,6-10,12H,1,5,11,13H2,2-3H3