methyl 4-[[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[1-(1,3-benzothiazol-2-yl)-3-piperidyl]amino]-4-oxo-butanoate CAS Name: 4-[[1-(1,3-benzothiazol-2-yl)-3-piperidinyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[1-(1,3-benzothiazol-2-yl)-3-piperidyl]amino]-4-keto-butyric acid methyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1CCCN(C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)CCC(=O)NC1CCCN(C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H21N3O3S/c1-23-16(22)9-8-15(21)18-12-5-4-10-20(11-12)17-19-13-6-2-3-7-14(13)24-17/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,21)