methyl 2-[[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[5-(3-chloro-4-methyl-phenyl)furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[5-(3-chloro-4-methylphenyl)-2-furanyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[5-(3-chloro-4-methyl-phenyl)-2-furoyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H15ClN2O4S MolecularWeight: 426.8728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC)Cl

InChI

InChI=1S/C21H15ClN2O4S/c1-11-3-4-12(9-14(11)22)16-7-8-17(28-16)19(25)24-21-23-15-6-5-13(20(26)27-2)10-18(15)29-21/h3-10H,1-2H3,(H,23,24,25)