(3S)-3-(1-benzothiophen-3-ylmethyl)-4-oxidanylidene-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid

Systemtic Name: (3S)-3-(1-benzothiophen-3-ylmethyl)-4-oxidanylidene-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid Openeye Name: (3S)-3-(benzothiophen-3-ylmethyl)-4-oxo-4-[4-(1-piperidyl)-1-piperidyl]butanoic acid CAS Name: (3S)-3-(1-benzothiophen-3-ylmethyl)-4-oxo-4-[4-(1-piperidinyl)-1-piperidinyl]butanoic acid IUPAC Name: (3S)-3-(1-benzothiophen-3-ylmethyl)-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid Traditional Name: (3S)-3-(benzothiophen-3-ylmethyl)-4-keto-4-(4-piperidinopiperidino)butyric acid Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C(=O)C(CC3=CSC4=CC=CC=C43)CC(=O)O

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C(=O)[C@@H](CC3=CSC4=CC=CC=C43)CC(=O)O

InChI

InChI=1S/C23H30N2O3S/c26-22(27)15-17(14-18-16-29-21-7-3-2-6-20(18)21)23(28)25-12-8-19(9-13-25)24-10-4-1-5-11-24/h2-3,6-7,16-17,19H,1,4-5,8-15H2,(H,26,27)/t17-/m0/s1