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

Systemtic Name: methyl 4-[[6-acetamido-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[6-acetamido-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[6-acetamido-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-acetamido-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[6-acetamido-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O6S/c1-4-31-19(27)12-25-17-10-9-16(23-13(2)26)11-18(17)32-22(25)24-20(28)14-5-7-15(8-6-14)21(29)30-3/h5-11H,4,12H2,1-3H3,(H,23,26)