methyl 2-[[3-(1-propan-2-ylpiperidin-4-yl)-1-benzothiophen-5-yl]carbamoyl]pentanoate

Systemtic Name: methyl 2-[[3-(1-propan-2-ylpiperidin-4-yl)-1-benzothiophen-5-yl]carbamoyl]pentanoate Openeye Name: methyl 2-[[3-(1-isopropyl-4-piperidyl)benzothiophen-5-yl]carbamoyl]pentanoate CAS Name: 2-[oxo-[[3-(1-propan-2-yl-4-piperidinyl)-1-benzothiophen-5-yl]amino]methyl]pentanoic acid methyl ester IUPAC Name: methyl 2-[[3-(1-propan-2-ylpiperidin-4-yl)-1-benzothiophen-5-yl]carbamoyl]pentanoate Traditional Name: 2-[[3-(1-isopropyl-4-piperidyl)benzothiophen-5-yl]carbamoyl]valeric acid methyl ester Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=CC2=C(C=C1)SC=C2C3CCN(CC3)C(C)C)C(=O)OC

Isomeric SMILES

CCCC(C(=O)NC1=CC2=C(C=C1)SC=C2C3CCN(CC3)C(C)C)C(=O)OC

InChI

InChI=1S/C23H32N2O3S/c1-5-6-18(23(27)28-4)22(26)24-17-7-8-21-19(13-17)20(14-29-21)16-9-11-25(12-10-16)15(2)3/h7-8,13-16,18H,5-6,9-12H2,1-4H3,(H,24,26)