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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)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)19-6-5-13-28(15-19)17(3)23(29)26-20-10-8-18(9-11-20)24-27-21-12-7-16(2)14-22(21)32-24/h7-12,14,17,19H,4-6,13,15H2,1-3H3,(H,26,29)