(3S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(furan-3-ylcarbonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(furan-3-ylcarbonyl)piperidine-3-carboxamide Openeye Name: (3S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-[3-furanyl(oxo)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-furoyl)nipecotamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)C(=O)C4=COC=C4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CCCN(C3)C(=O)C4=COC=C4

InChI

InChI=1S/C20H20N4O4S/c1-12(25)21-15-4-5-16-17(9-15)29-20(22-16)23-18(26)13-3-2-7-24(10-13)19(27)14-6-8-28-11-14/h4-6,8-9,11,13H,2-3,7,10H2,1H3,(H,21,25)(H,22,23,26)/t13-/m0/s1