ethyl 1-[1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxopropan-2-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-1-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl]isonipecotic acid ethyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C25H29N3O3S/c1-4-31-25(30)19-11-13-28(14-12-19)17(3)23(29)26-20-8-6-18(7-9-20)24-27-21-10-5-16(2)15-22(21)32-24/h5-10,15,17,19H,4,11-14H2,1-3H3,(H,26,29)