3-thiophen-3-ylpropyl 4-(tert-butylsulfonylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3-thiophen-3-ylpropyl 4-(tert-butylsulfonylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-(3-thienyl)propyl 4-(tert-butylsulfonylmethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(tert-butylsulfonylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(3-thiophenyl)propyl ester IUPAC Name: 3-thiophen-3-ylpropyl 4-(tert-butylsulfonylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(tert-butylsulfonylmethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(3-thienyl)propyl ester Formula: C18H26N2O4S3 MolecularWeight: 430.60504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CS(=O)(=O)C(C)(C)C)C(=O)OCCCC2=CSC=C2

Isomeric SMILES

CC1=C(C(NC(=S)N1)CS(=O)(=O)C(C)(C)C)C(=O)OCCCC2=CSC=C2

InChI

InChI=1S/C18H26N2O4S3/c1-12-15(16(21)24-8-5-6-13-7-9-26-10-13)14(20-17(25)19-12)11-27(22,23)18(2,3)4/h7,9-10,14H,5-6,8,11H2,1-4H3,(H2,19,20,25)