3-[(4-chloranyl-2-nitroso-phenyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-chloranyl-2-nitroso-phenyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-chloro-2-nitroso-benzoyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-chloro-2-nitrosophenyl)-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-chloro-2-nitrosobenzoyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-chloro-2-nitroso-benzoyl)-isopropyl-amino]-5-phenyl-2-thenoic acid Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)N=O

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)N=O

InChI

InChI=1S/C21H17ClN2O4S/c1-12(2)24(20(25)15-9-8-14(22)10-16(15)23-28)17-11-18(29-19(17)21(26)27)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,26,27)