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

Systemtic Name: methyl 4-[[3-(3-ethoxy-3-oxidanylidene-propyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(3-ethoxy-3-oxo-propyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-(3-ethoxy-3-oxopropyl)-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-ethoxy-3-oxopropyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[3-(3-ethoxy-3-keto-propyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O5S/c1-3-28-18(24)12-13-23-16-6-4-5-7-17(16)29-21(23)22-19(25)14-8-10-15(11-9-14)20(26)27-2/h4-11H,3,12-13H2,1-2H3