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

Systemtic Name: methyl 2-[[5-(4-methyl-2-nitro-phenyl)furan-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[5-(4-methyl-2-nitro-phenyl)furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[5-(4-methyl-2-nitrophenyl)-2-furanyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(4-methyl-2-nitrophenyl)furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[5-(4-methyl-2-nitro-phenyl)-2-furoyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H15N3O6S MolecularWeight: 437.4253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O6S/c1-11-3-5-13(15(9-11)24(27)28)16-7-8-17(30-16)19(25)23-21-22-14-6-4-12(20(26)29-2)10-18(14)31-21/h3-10H,1-2H3,(H,22,23,25)