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

Systemtic Name: 2-[[6-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]-1-methyl-cyclopropane-1-carboxylic acid Openeye Name: 2-[[6-[(2-chloro-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]-1-methyl-cyclopropanecarboxylic acid CAS Name: 2-[[[6-[(2-chloro-6-methylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]amino]-oxomethyl]-1-methyl-1-cyclopropanecarboxylic acid IUPAC Name: 2-[[6-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid Traditional Name: 2-[[6-[(2-chloro-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]-1-methyl-cyclopropanecarboxylic acid Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O4S/c1-10-4-3-5-13(22)16(10)24-17(26)11-6-7-14-15(8-11)30-20(23-14)25-18(27)12-9-21(12,2)19(28)29/h3-8,12H,9H2,1-2H3,(H,24,26)(H,28,29)(H,23,25,27)