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

Systemtic Name: ethyl 4-methyl-2-[(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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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)N3C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC4=C(C=CS4)C(=O)N3C)C

InChI

InChI=1S/C21H19N3O3S2/c1-4-27-20(26)17-12(2)13-7-5-6-8-15(13)22-16(17)11-29-21-23-18-14(9-10-28-18)19(25)24(21)3/h5-10H,4,11H2,1-3H3