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

Systemtic Name: methyl 4-[[3-(3-methoxy-3-oxidanylidene-propyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(3-methoxy-3-oxo-propyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-(3-methoxy-3-oxopropyl)-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-methoxy-3-oxopropyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[3-(3-keto-3-methoxy-propyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5S/c1-26-17(23)11-12-22-15-5-3-4-6-16(15)28-20(22)21-18(24)13-7-9-14(10-8-13)19(25)27-2/h3-10H,11-12H2,1-2H3