ethyl 4-(1-adamantyl)-2-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-(1-adamantyl)-2-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-(1-adamantyl)-2-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]thiazole-5-carboxylate CAS Name: 4-(1-adamantyl)-2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-adamantyl)-2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-(1-adamantyl)-2-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]thiazole-5-carboxylic acid ethyl ester Formula: C25H27ClN2O4S3 MolecularWeight: 551.14088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NS(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NS(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H27ClN2O4S3/c1-3-32-22(29)20-21(25-10-14-6-15(11-25)8-16(7-14)12-25)27-24(34-20)28-35(30,31)23-13(2)18-9-17(26)4-5-19(18)33-23/h4-5,9,14-16H,3,6-8,10-12H2,1-2H3,(H,27,28)