2-diethylaminoethyl 2-(cyclohexylcarbonylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: 2-diethylaminoethyl 2-(cyclohexylcarbonylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: 2-diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-1,3-benzothiazole-6-carboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylic acid 2-diethylaminoethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCCC3

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCCC3

InChI

InChI=1S/C21H29N3O3S/c1-3-24(4-2)12-13-27-20(26)16-10-11-17-18(14-16)28-21(22-17)23-19(25)15-8-6-5-7-9-15/h10-11,14-15H,3-9,12-13H2,1-2H3,(H,22,23,25)