2-[[6-(4-methylphenyl)sulfanylpyridin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[[6-(4-methylphenyl)sulfanylpyridin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid Openeye Name: 2-[[6-(p-tolylsulfanyl)-3-pyridyl]carbamoyl]cyclopropanecarboxylic acid CAS Name: 2-[[[6-[(4-methylphenyl)thio]-3-pyridinyl]amino]-oxomethyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[[6-(4-methylphenyl)sulfanylpyridin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[[6-(p-tolylthio)-3-pyridyl]carbamoyl]cyclopropanecarboxylic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=C(C=C2)NC(=O)C3CC3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=C(C=C2)NC(=O)C3CC3C(=O)O

InChI

InChI=1S/C17H16N2O3S/c1-10-2-5-12(6-3-10)23-15-7-4-11(9-18-15)19-16(20)13-8-14(13)17(21)22/h2-7,9,13-14H,8H2,1H3,(H,19,20)(H,21,22)