2-[[6-[(2,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]-1-methyl-cyclopropane-1-carboxylic acid

Systemtic Name: 2-[[6-[(2,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]-1-methyl-cyclopropane-1-carboxylic acid Openeye Name: 2-[[6-[(2,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]-1-methyl-cyclopropanecarboxylic acid CAS Name: 2-[[[6-[(2,6-dimethylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]amino]-oxomethyl]-1-methyl-1-cyclopropanecarboxylic acid IUPAC Name: 2-[[6-[(2,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid Traditional Name: 2-[[6-[(2,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]-1-methyl-cyclopropanecarboxylic acid Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4CC4(C)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4CC4(C)C(=O)O

InChI

InChI=1S/C22H21N3O4S/c1-11-5-4-6-12(2)17(11)24-18(26)13-7-8-15-16(9-13)30-21(23-15)25-19(27)14-10-22(14,3)20(28)29/h4-9,14H,10H2,1-3H3,(H,24,26)(H,28,29)(H,23,25,27)