methyl 4-[(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate

Systemtic Name: methyl 4-[(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(6-mesyl-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H16N2O5S2/c1-20-14-9-8-13(27(3,23)24)10-15(14)26-18(20)19-16(21)11-4-6-12(7-5-11)17(22)25-2/h4-10H,1-3H3