ethyl 2-(1,3-benzothiazol-6-ylcarbonylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzothiazol-6-ylcarbonylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazole-6-carbonylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate CAS Name: 2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazole-6-carbonylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate Traditional Name: 2-(1,3-benzothiazole-6-carbonylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylic acid ethyl ester Formula: C18H16N2O3S3 MolecularWeight: 404.52624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCS2)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCS2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H16N2O3S3/c1-2-23-17(22)14-11-4-3-7-24-18(11)26-16(14)20-15(21)10-5-6-12-13(8-10)25-9-19-12/h5-6,8-9H,2-4,7H2,1H3,(H,20,21)