ethyl 4-(3H-isothiochromen-1-yl)-2-methylsulfonyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3H-isothiochromen-1-yl)-2-methylsulfonyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3H-isothiochromen-1-yl)-2-methylsulfonyl-pyrimidine-5-carboxylate CAS Name: 4-(3H-2-benzothiopyran-1-yl)-2-methylsulfonyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3H-isothiochromen-1-yl)-2-methylsulfonylpyrimidine-5-carboxylate Traditional Name: 4-(3H-isothiochromen-1-yl)-2-mesyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=C3C=CC=CC3=CCS2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=C3C=CC=CC3=CCS2)S(=O)(=O)C

InChI

InChI=1S/C17H16N2O4S2/c1-3-23-16(20)13-10-18-17(25(2,21)22)19-14(13)15-12-7-5-4-6-11(12)8-9-24-15/h4-8,10H,3,9H2,1-2H3