ethyl 2-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H20N2O3S3 MolecularWeight: 456.6008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)C3SCCS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)C3SCCS3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3S3/c1-2-27-20(26)18-17(14-6-4-3-5-7-14)23-22(30-18)24-19(25)15-8-10-16(11-9-15)21-28-12-13-29-21/h3-11,21H,2,12-13H2,1H3,(H,23,24,25)