ethyl 2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(thieno[2,3-d]pyrimidin-4-ylthio)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O3S3 MolecularWeight: 447.59404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NC=NC4=C3C=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H21N3O3S3/c1-3-26-20(25)15-12-6-4-5-7-14(12)29-19(15)23-16(24)11(2)28-18-13-8-9-27-17(13)21-10-22-18/h8-11H,3-7H2,1-2H3,(H,23,24)