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

Systemtic Name: methyl 5-[[6-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[[6-[(2-chloro-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[6-[(2-chloro-6-methylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[6-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]amino]-5-oxopentanoate Traditional Name: 5-[[6-[(2-chloro-6-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]amino]-5-keto-valeric acid methyl ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4S/c1-12-5-3-6-14(22)19(12)25-20(28)13-9-10-15-16(11-13)30-21(23-15)24-17(26)7-4-8-18(27)29-2/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,25,28)(H,23,24,26)