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

Systemtic Name: methyl 4-[(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C20H16N2O5S2 MolecularWeight: 428.48144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC#C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC#C

InChI

InChI=1S/C20H16N2O5S2/c1-4-11-22-16-10-9-15(29(3,25)26)12-17(16)28-20(22)21-18(23)13-5-7-14(8-6-13)19(24)27-2/h1,5-10,12H,11H2,2-3H3