ethyl 7-methyl-3-(phenylsulfonylmethyl)-5-(3-prop-2-ynoxyphenyl)-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 7-methyl-3-(phenylsulfonylmethyl)-5-(3-prop-2-ynoxyphenyl)-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl 3-(benzenesulfonylmethyl)-7-methyl-5-(3-prop-2-ynoxyphenyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 3-(benzenesulfonylmethyl)-7-methyl-5-(3-prop-2-ynoxyphenyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzenesulfonylmethyl)-7-methyl-5-(3-prop-2-ynoxyphenyl)-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 3-(besylmethyl)-7-methyl-5-(3-propargyloxyphenyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C26H26N2O5S2 MolecularWeight: 510.62504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)OCC#C)C(CS2)CS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)OCC#C)C(CS2)CS(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H26N2O5S2/c1-4-14-33-21-11-9-10-19(15-21)24-23(25(29)32-5-2)18(3)27-26-28(24)20(16-34-26)17-35(30,31)22-12-7-6-8-13-22/h1,6-13,15,20,24H,5,14,16-17H2,2-3H3