methyl 4-[[3-(2-methoxy-2-oxidanylidene-ethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(2-methoxy-2-oxidanylidene-ethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(2-methoxy-2-oxo-ethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-(2-methoxy-2-oxoethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methoxy-2-oxoethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[3-(2-keto-2-methoxy-ethyl)-5,7-dimethyl-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=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)CC(=O)OC)C

InChI

InChI=1S/C21H20N2O5S/c1-12-9-13(2)18-16(10-12)23(11-17(24)27-3)21(29-18)22-19(25)14-5-7-15(8-6-14)20(26)28-4/h5-10H,11H2,1-4H3