3-[(1-azido-3-methyl-pentan-2-yl)-(2,4-dichlorophenyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(1-azido-3-methyl-pentan-2-yl)-(2,4-dichlorophenyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[1-(azidomethyl)-2-methyl-butyl]-(2,4-dichlorobenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(1-azido-3-methylpentan-2-yl)-[(2,4-dichlorophenyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(1-azido-3-methylpentan-2-yl)-(2,4-dichlorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[1-(azidomethyl)-2-methyl-butyl]-(2,4-dichlorobenzoyl)amino]-5-phenyl-2-thenoic acid Formula: C24H22Cl2N4O3S MolecularWeight: 517.42748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CN=[N+]=[N-])N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCC(C)C(CN=[N+]=[N-])N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H22Cl2N4O3S/c1-3-14(2)20(13-28-29-27)30(23(31)17-10-9-16(25)11-18(17)26)19-12-21(34-22(19)24(32)33)15-7-5-4-6-8-15/h4-12,14,20H,3,13H2,1-2H3,(H,32,33)