5-[[6-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[6-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[6-[(2-chloro-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[6-[(2-chloro-6-methylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[6-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[6-[(2-chloro-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]amino]-5-keto-valeric acid Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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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)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4S/c1-11-4-2-5-13(21)18(11)24-19(28)12-8-9-14-15(10-12)29-20(22-14)23-16(25)6-3-7-17(26)27/h2,4-5,8-10H,3,6-7H2,1H3,(H,24,28)(H,26,27)(H,22,23,25)