methyl 2-[[6-[(1-methylpiperidin-3-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[(1-methylpiperidin-3-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(1-methylpiperidine-3-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[(1-methyl-3-piperidinyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(1-methylpiperidine-3-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(1-methylnipecotoyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OC

Isomeric SMILES

CN1CCCC(C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OC

InChI

InChI=1S/C17H21N3O3S2/c1-20-7-3-4-11(9-20)16(22)18-12-5-6-13-14(8-12)25-17(19-13)24-10-15(21)23-2/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,18,22)