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

Systemtic Name: methyl 4-[[3-(3-methoxy-3-oxidanylidene-propyl)-6-methyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(3-methoxy-3-oxo-propyl)-6-methyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-(3-methoxy-3-oxopropyl)-6-methyl-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-methoxy-3-oxopropyl)-6-methyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[3-(3-keto-3-methoxy-propyl)-6-methyl-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:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)CCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)CCC(=O)OC

InChI

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