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

Systemtic Name: methyl 4-[[6-ethyl-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[6-ethyl-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[6-ethyl-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-ethyl-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[6-ethyl-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)CC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)CC(=O)OC

InChI

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