[5-(azepan-1-ylmethyl)thiophen-2-yl] 2-(hydroxymethyl)-2-[(phenylmethyl)carbamoylamino]butanoate

Systemtic Name: [5-(azepan-1-ylmethyl)thiophen-2-yl] 2-(hydroxymethyl)-2-[(phenylmethyl)carbamoylamino]butanoate Openeye Name: [5-(azepan-1-ylmethyl)-2-thienyl] 2-(benzylcarbamoylamino)-2-(hydroxymethyl)butanoate CAS Name: 2-(hydroxymethyl)-2-[[oxo-[(phenylmethyl)amino]methyl]amino]butanoic acid [5-(1-azepanylmethyl)-2-thiophenyl] ester IUPAC Name: [5-(azepan-1-ylmethyl)thiophen-2-yl] 2-(benzylcarbamoylamino)-2-(hydroxymethyl)butanoate Traditional Name: 2-(benzylcarbamoylamino)-2-methylol-butyric acid [5-(azepan-1-ylmethyl)-2-thienyl] ester Formula: C24H33N3O4S MolecularWeight: 459.60152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(C(=O)OC1=CC=C(S1)CN2CCCCCC2)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCC(CO)(C(=O)OC1=CC=C(S1)CN2CCCCCC2)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O4S/c1-2-24(18-28,26-23(30)25-16-19-10-6-5-7-11-19)22(29)31-21-13-12-20(32-21)17-27-14-8-3-4-9-15-27/h5-7,10-13,28H,2-4,8-9,14-18H2,1H3,(H2,25,26,30)