4-(4-bromophenyl)sulfanyl-3-(diethanoylamino)benzoic acid

Systemtic Name: 4-(4-bromophenyl)sulfanyl-3-(diethanoylamino)benzoic acid Openeye Name: 4-(4-bromophenyl)sulfanyl-3-(diacetylamino)benzoic acid CAS Name: 4-[(4-bromophenyl)thio]-3-(diacetylamino)benzoic acid IUPAC Name: 4-(4-bromophenyl)sulfanyl-3-(diacetylamino)benzoic acid Traditional Name: 4-[(4-bromophenyl)thio]-3-(diacetylamino)benzoic acid Formula: C17H14BrNO4S MolecularWeight: 408.26636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=C(C=CC(=C1)C(=O)O)SC2=CC=C(C=C2)Br)C(=O)C

Isomeric SMILES

CC(=O)N(C1=C(C=CC(=C1)C(=O)O)SC2=CC=C(C=C2)Br)C(=O)C

InChI

InChI=1S/C17H14BrNO4S/c1-10(20)19(11(2)21)15-9-12(17(22)23)3-8-16(15)24-14-6-4-13(18)5-7-14/h3-9H,1-2H3,(H,22,23)