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

Systemtic Name: methyl 4-[(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(3-allyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(3-allyl-6-mesyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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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/C20H18N2O5S2/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/h4-10,12H,1,11H2,2-3H3