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

Systemtic Name: ethyl 2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H19N3O3S3 MolecularWeight: 433.56746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C19H19N3O3S3/c1-2-25-19(24)15-11-5-3-4-6-13(11)28-18(15)22-14(23)9-27-17-12-7-8-26-16(12)20-10-21-17/h7-8,10H,2-6,9H2,1H3,(H,22,23)