methyl 2-methyl-5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]furan-3-carboxylic acid methyl ester Formula: C15H12N2O5S2 MolecularWeight: 364.39618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H12N2O5S2/c1-8-11(14(18)21-2)6-10(22-8)7-23-15-16-12-4-3-9(17(19)20)5-13(12)24-15/h3-6H,7H2,1-2H3