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

Systemtic Name: 2-[[6-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]cyclopropane-1-carboxylic acid Openeye Name: 2-[[6-[(2-chloro-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]cyclopropanecarboxylic acid CAS Name: 2-[[[6-[(2-chloro-6-methylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]amino]-oxomethyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[[6-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[[6-[(2-chloro-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoyl]cyclopropanecarboxylic acid Formula: C20H16ClN3O4S MolecularWeight: 429.87674

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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)C4CC4C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4CC4C(=O)O

InChI

InChI=1S/C20H16ClN3O4S/c1-9-3-2-4-13(21)16(9)23-17(25)10-5-6-14-15(7-10)29-20(22-14)24-18(26)11-8-12(11)19(27)28/h2-7,11-12H,8H2,1H3,(H,23,25)(H,27,28)(H,22,24,26)