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

Systemtic Name: methyl 4-[[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-4-14-5-10-17-18(13-14)28-21(23(17)11-12-27-3)22-19(24)15-6-8-16(9-7-15)20(25)26-2/h5-10,13H,4,11-12H2,1-3H3