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

Systemtic Name: methyl 4-[[6-ethoxy-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[6-ethoxy-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[6-ethoxy-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-ethoxy-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[6-ethoxy-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)CC(=O)OCC

InChI

InChI=1S/C22H22N2O6S/c1-4-29-16-10-11-17-18(12-16)31-22(24(17)13-19(25)30-5-2)23-20(26)14-6-8-15(9-7-14)21(27)28-3/h6-12H,4-5,13H2,1-3H3