4-[[[2-[(4-bromanyl-3-methyl-phenyl)carbamoyl]thiophen-3-yl]amino]methyl]pyridine-2-carboxylic acid

Systemtic Name: 4-[[[2-[(4-bromanyl-3-methyl-phenyl)carbamoyl]thiophen-3-yl]amino]methyl]pyridine-2-carboxylic acid Openeye Name: 4-[[[2-[(4-bromo-3-methyl-phenyl)carbamoyl]-3-thienyl]amino]methyl]pyridine-2-carboxylic acid CAS Name: 4-[[[2-[(4-bromo-3-methylanilino)-oxomethyl]-3-thiophenyl]amino]methyl]-2-pyridinecarboxylic acid IUPAC Name: 4-[[[2-[(4-bromo-3-methylphenyl)carbamoyl]thiophen-3-yl]amino]methyl]pyridine-2-carboxylic acid Traditional Name: 4-[[[2-[(4-bromo-3-methyl-phenyl)carbamoyl]-3-thienyl]amino]methyl]picolinic acid Formula: C19H16BrN3O3S MolecularWeight: 446.31764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CS2)NCC3=CC(=NC=C3)C(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CS2)NCC3=CC(=NC=C3)C(=O)O)Br

InChI

InChI=1S/C19H16BrN3O3S/c1-11-8-13(2-3-14(11)20)23-18(24)17-15(5-7-27-17)22-10-12-4-6-21-16(9-12)19(25)26/h2-9,22H,10H2,1H3,(H,23,24)(H,25,26)